methyl 2-[5-(4-aminophenyl)pentanoyl-[2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-4-phenoxy-butanoyl]amino]-4-azanyl-3-methyl-3-oxidanyl-pentanoate

Systemtic Name: methyl 2-[5-(4-aminophenyl)pentanoyl-[2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-4-phenoxy-butanoyl]amino]-4-azanyl-3-methyl-3-oxidanyl-pentanoate Openeye Name: methyl 4-amino-2-[[2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-4-phenoxy-butanoyl]-[5-(4-aminophenyl)pentanoyl]amino]-3-hydroxy-3-methyl-pentanoate CAS Name: 4-amino-2-[[2-amino-2-(1H-imidazol-5-ylmethyl)-1,3-dioxo-4-phenoxybutyl]-[5-(4-aminophenyl)-1-oxopentyl]amino]-3-hydroxy-3-methylpentanoic acid methyl ester IUPAC Name: methyl 4-amino-2-[[2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-4-phenoxybutanoyl]-[5-(4-aminophenyl)pentanoyl]amino]-3-hydroxy-3-methylpentanoate Traditional Name: 4-amino-2-[[2-amino-2-(1H-imidazol-5-ylmethyl)-3-keto-4-phenoxy-butanoyl]-[5-(4-aminophenyl)pentanoyl]amino]-3-hydroxy-3-methyl-valeric acid methyl ester Formula: C32H42N6O7 MolecularWeight: 622.71188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C(C(=O)OC)N(C(=O)CCCCC1=CC=C(C=C1)N)C(=O)C(CC2=CN=CN2)(C(=O)COC3=CC=CC=C3)N)O)N

Isomeric SMILES

CC(C(C)(C(C(=O)OC)N(C(=O)CCCCC1=CC=C(C=C1)N)C(=O)C(CC2=CN=CN2)(C(=O)COC3=CC=CC=C3)N)O)N

InChI

InChI=1S/C32H42N6O7/c1-21(33)31(2,43)28(29(41)44-3)38(27(40)12-8-7-9-22-13-15-23(34)16-14-22)30(42)32(35,17-24-18-36-20-37-24)26(39)19-45-25-10-5-4-6-11-25/h4-6,10-11,13-16,18,20-21,28,43H,7-9,12,17,19,33-35H2,1-3H3,(H,36,37)