Properties
Molecular Formula
C38H49N9O5
Molecular Weight
711.9
Monoisotopic Mass
711.3856657
Polar Area
240
Complexity
1200
XLogP
1.8
Heavy Atom Count
52
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
19
PubChem LCSS
Ipamorelin Laboratory Chemical Safety Summary
Identifiers
CID
9831659
InChI
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1
InChIKey
NEHWBYHLYZGBNO-BVEPWEIPSA-N
Isometric SMILES
CC(C)(C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N)N
Canonical SMILES
CC(C)(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCCN)C(=O)N)N
IUPAC Name
(2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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