Properties
Molecular Formula
CJC-1295 Acetate: C152H252N44O42
Growth hormone releasing hexapeptide: C46H56N12O6
Molecular Weight
CJC-1295 Acetate: 3367.9
Growth hormone releasing hexapeptide: 873
Monoisotopic Mass
CJC-1295 Acetate: 3365.8935782
Growth hormone releasing hexapeptide: 872.44457755
Polar Area
CJC-1295 Acetate: 1450
Growth hormone releasing hexapeptide: 301
Complexity
CJC-1295 Acetate: 7710
Growth hormone releasing hexapeptide: 1570
XLogP
CJC-1295 Acetate: -10.7
Growth hormone releasing hexapeptide: 1.9
Heavy Atom Count
CJC-1295 Acetate: 238
Growth hormone releasing hexapeptide: 64
Hydrogen Bond Donor Count
CJC-1295 Acetate: 52
Growth hormone releasing hexapeptide: 11
Hydrogen Bond Acceptor Count
CJC-1295 Acetate: 48
Growth hormone releasing hexapeptide: 9
Rotatable Bond Count
CJC-1295 Acetate: 118
Growth hormone releasing hexapeptide: 23
PubChem LCSS
CJC-1295 Acetate Laboratory Chemical Safety Summary
Growth hormone releasing hexapeptide Laboratory Chemical Safety Summary
Identifiers
CID
CJC-1295 Acetate: 56841945
Growth hormone releasing hexapeptide: 9919153
InChI
CJC-1295 Acetate: InChI=1S/C152H252N44O42/c1-22-79(15)118(194-125(214)84(20)171-135(224)107(68-115(206)207)181-124(213)81(17)169-126(215)91(155)65-87-41-45-89(201)46-42-87)147(236)189-106(66-86-34-25-24-26-35-86)141(230)196-120(85(21)200)149(238)180-99(51-54-114(158)205)132(221)190-111(72-199)145(234)185-105(67-88-43-47-90(202)48-44-88)140(229)178-96(40-33-59-168-152(164)165)128(217)177-94(37-28-30-56-154)133(222)193-117(78(13)14)146(235)187-100(60-73(3)4)134(223)170-82(18)123(212)175-97(49-52-112(156)203)130(219)183-103(63-76(9)10)138(227)191-109(70-197)143(232)172-83(19)122(211)174-95(39-32-58-167-151(162)163)127(216)176-93(36-27-29-55-153)129(218)182-102(62-75(7)8)137(226)184-101(61-74(5)6)136(225)179-98(50-53-113(157)204)131(220)186-108(69-116(208)209)142(231)195-119(80(16)23-2)148(237)188-104(64-77(11)12)139(228)192-110(71-198)144(233)173-92(121(159)210)38-31-57-166-150(160)161/h24-26,34-35,41-48,73-85,91-111,117-120,197-202H,22-23,27-33,36-40,49-72,153-155H2,1-21H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,210)(H,169,215)(H,170,223)(H,171,224)(H,172,232)(H,173,233)(H,174,211)(H,175,212)(H,176,216)(H,177,217)(H,178,229)(H,179,225)(H,180,238)(H,181,213)(H,182,218)(H,183,219)(H,184,226)(H,185,234)(H,186,220)(H,187,235)(H,188,237)(H,189,236)(H,190,221)(H,191,227)(H,192,228)(H,193,222)(H,194,214)(H,195,231)(H,196,230)(H,206,207)(H,208,209)(H4,160,161,166)(H4,162,163,167)(H4,164,165,168)/t79-,80-,81+,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1
Growth hormone releasing hexapeptide: InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
InChIKey
CJC-1295 Acetate: XOZMWINMZMMOBR-HRDSVTNWSA-N
Growth hormone releasing hexapeptide: WZHKXNSOCOQYQX-FUAFALNISA-N
Isometric SMILES
CJC-1295 Acetate: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Growth hormone releasing hexapeptide: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)N
Canonical SMILES
CJC-1295 Acetate: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N
Growth hormone releasing hexapeptide: CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)N
IUPAC Name
CJC-1295 Acetate: (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Growth hormone releasing hexapeptide: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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