2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-mercapto-propionic acid Formula: C40H57N9O11S MolecularWeight: 871.99928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)N)O

InChI

InChI=1S/C40H57N9O11S/c1-21(51)32(48-35(54)28(14-8-9-15-41)44-34(53)26(42)17-24-18-43-27-13-7-6-12-25(24)27)38(57)45-29(16-23-10-4-3-5-11-23)36(55)49-33(22(2)52)39(58)46-30(19-50)37(56)47-31(20-61)40(59)60/h3-7,10-13,18,21-22,26,28-33,43,50-52,61H,8-9,14-17,19-20,41-42H2,1-2H3,(H,44,53)(H,45,57)(H,46,58)(H,47,56)(H,48,54)(H,49,55)(H,59,60)