Melanostatin DM 200mg (Topical)

Properties

Molecular Formula
C41H58N14O6

Molecular Weight
843

Monoisotopic Mass
842.46637563

Polar Area
350

Complexity
1480

XLogP
-1.8

Heavy Atom Count
61

Hydrogen Bond Donor Count
12

Hydrogen Bond Acceptor Count
10

Rotatable Bond Count
25

PubChem LCSS
Melanostatin DM Laboratory Chemical Safety Summary

Identifiers

CID
20832941

InChI
InChI=1S/C41H58N14O6/c1-24(51-38(59)32(15-9-17-48-41(45)46)53-37(58)29(43)20-27-22-47-23-50-27)36(57)54-34(19-26-21-49-30-13-6-5-12-28(26)30)40(61)55-33(18-25-10-3-2-4-11-25)39(60)52-31(35(44)56)14-7-8-16-42/h2-6,10-13,21-24,29,31-34,49H,7-9,14-20,42-43H2,1H3,(H2,44,56)(H,47,50)(H,51,59)(H,52,60)(H,53,58)(H,54,57)(H,55,61)(H4,45,46,48)

InChIKey
CGVQCSBCAOKPQQ-UHFFFAOYSA-N

Isometric SMILES
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(CCCN=C(N)N)NC(=O)C(CC4=CN=CN4)N

Canonical SMILES
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(CCCN=C(N)N)NC(=O)C(CC4=CN=CN4)N

IUPAC Name
6-amino-2-[[2-[[2-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide