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]-4-methyl-pentanoic 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]-4-methyl-pentanoic 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]-4-methyl-pentanoic 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]-4-methylpentanoic 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]-4-methylpentanoic 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]-4-methyl-valeric acid Formula: C47H59N9O7 MolecularWeight: 862.02746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)N

InChI

InChI=1S/C47H59N9O7/c1-5-29(4)41(46(61)54-39(44(59)55-40(47(62)63)20-28(2)3)23-32-25-50-36-19-13-12-18-34(32)36)56-45(60)38(22-31-16-10-7-11-17-31)53-43(58)37(21-30-14-8-6-9-15-30)52-42(57)35(48)24-33-26-49-27-51-33/h6-19,25-29,35,37-41,50H,5,20-24,48H2,1-4H3,(H,49,51)(H,52,57)(H,53,58)(H,54,61)(H,55,59)(H,56,60)(H,62,63)