2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C52H58N10O7 MolecularWeight: 935.07972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CN=CN7)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CN=CN7)N

InChI

InChI=1S/C52H58N10O7/c1-3-31(2)46(51(67)60-44(24-34-27-55-40-20-12-10-18-37(34)40)49(65)61-45(52(68)69)25-35-28-56-41-21-13-11-19-38(35)41)62-50(66)43(23-33-16-8-5-9-17-33)59-48(64)42(22-32-14-6-4-7-15-32)58-47(63)39(53)26-36-29-54-30-57-36/h4-21,27-31,39,42-46,55-56H,3,22-26,53H2,1-2H3,(H,54,57)(H,58,63)(H,59,64)(H,60,67)(H,61,65)(H,62,66)(H,68,69)