2-[[4-[[(3-aminophenyl)carbonylamino]methyl]-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid

Systemtic Name: 2-[[4-[[(3-aminophenyl)carbonylamino]methyl]-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid Openeye Name: 2-[[4-[[(3-aminobenzoyl)amino]methyl]-2-chloro-benzoyl]amino]-3-benzamido-propanoic acid CAS Name: 2-[[[4-[[[(3-aminophenyl)-oxomethyl]amino]methyl]-2-chlorophenyl]-oxomethyl]amino]-3-benzamidopropanoic acid IUPAC Name: 2-[[4-[[(3-aminobenzoyl)amino]methyl]-2-chlorobenzoyl]amino]-3-benzamidopropanoic acid Traditional Name: 2-[[4-[[(3-aminobenzoyl)amino]methyl]-2-chloro-benzoyl]amino]-3-benzamido-propionic acid Formula: C25H23ClN4O5 MolecularWeight: 494.92692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CNC(=O)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CNC(=O)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C25H23ClN4O5/c26-20-11-15(13-28-23(32)17-7-4-8-18(27)12-17)9-10-19(20)24(33)30-21(25(34)35)14-29-22(31)16-5-2-1-3-6-16/h1-12,21H,13-14,27H2,(H,28,32)(H,29,31)(H,30,33)(H,34,35)