2-[4-[[[5-[bis(azanyl)methylideneamino]-2-[ethanoyl(methyl)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-[ethanoyl(methyl)amino]pentanoyl]amino]methyl]-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoic acid Openeye Name: 2-[4-[[[2-[acetyl(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-[acetyl(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-[acetyl(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-[acetyl(methyl)amino]-5-guanidino-pentanoyl]amino]methyl]-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid Formula: C24H34N6O5 MolecularWeight: 486.56396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O5/c1-16(31)29(2)20(9-6-11-27-24(25)26)22(34)28-15-17-10-12-30(19-7-4-3-5-8-19)23(35)18(13-17)14-21(32)33/h3-5,7-8,13,18,20H,6,9-12,14-15H2,1-2H3,(H,28,34)(H,32,33)(H4,25,26,27)