4-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]-3-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]-3-amino-4-oxo-butanoic acid CAS Name: 4-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-phenylphenyl]-oxomethyl]amino]-3-amino-4-oxobutanoic acid IUPAC Name: 4-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-phenylbenzoyl]amino]-3-amino-4-oxobutanoic acid Traditional Name: 4-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]-3-amino-4-keto-butyric acid Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(=O)C(CC(=O)O)N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(=O)C(CC(=O)O)N)C2=CC=CC=C2

InChI

InChI=1S/C25H31N5O6/c1-15(31)28-21(9-5-6-12-26)25(36)29-17-10-11-18(19(13-17)16-7-3-2-4-8-16)23(34)30-24(35)20(27)14-22(32)33/h2-4,7-8,10-11,13,20-21H,5-6,9,12,14,26-27H2,1H3,(H,28,31)(H,29,36)(H,32,33)(H,30,34,35)