2-[4-[[[5-[bis(azanyl)methylideneamino]-2-[methyl(phenylcarbonyl)amino]pentanoyl]amino]methyl]-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoic acid

Systemtic Name: 2-[4-[[[5-[bis(azanyl)methylideneamino]-2-[methyl(phenylcarbonyl)amino]pentanoyl]amino]methyl]-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoic acid Openeye Name: 2-[4-[[[2-[benzoyl(methyl)amino]-5-guanidino-pentanoyl]amino]methyl]-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid CAS Name: 2-[4-[[[2-[benzoyl(methyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]methyl]-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid IUPAC Name: 2-[4-[[[2-[benzoyl(methyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]methyl]-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid Traditional Name: 2-[4-[[[2-[benzoyl(methyl)amino]-5-guanidino-pentanoyl]amino]methyl]-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid Formula: C29H36N6O5 MolecularWeight: 548.63334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN=C(N)N)C(=O)NCC1=CC(C(=O)N(CC1)C2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C(CCCN=C(N)N)C(=O)NCC1=CC(C(=O)N(CC1)C2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H36N6O5/c1-34(27(39)21-9-4-2-5-10-21)24(13-8-15-32-29(30)31)26(38)33-19-20-14-16-35(23-11-6-3-7-12-23)28(40)22(17-20)18-25(36)37/h2-7,9-12,17,22,24H,8,13-16,18-19H2,1H3,(H,33,38)(H,36,37)(H4,30,31,32)