2-[[2-[[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C43H63N11O11 MolecularWeight: 910.02742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)N

InChI

InChI=1S/C43H63N11O11/c1-21(2)13-29(53-42(63)36(45)23(5)6)38(59)51-31(16-25-19-46-20-48-25)40(61)49-28(11-12-34(44)55)37(58)52-32(17-35(56)57)41(62)50-30(39(60)54-33(43(64)65)14-22(3)4)15-24-18-47-27-10-8-7-9-26(24)27/h7-10,18-23,28-33,36,47H,11-17,45H2,1-6H3,(H2,44,55)(H,46,48)(H,49,61)(H,50,62)(H,51,59)(H,52,58)(H,53,63)(H,54,60)(H,56,57)(H,64,65)