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

Systemtic Name: 3-benzamido-2-[[2-chloranyl-4-[(quinolin-3-ylcarbonylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[2-chloro-4-[(quinoline-3-carbonylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[2-chloro-4-[[[oxo(3-quinolinyl)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[[2-chloro-4-[(quinoline-3-carbonylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-benzamido-2-[[2-chloro-4-[(quinoline-3-carbonylamino)methyl]benzoyl]amino]propionic acid Formula: C28H23ClN4O5 MolecularWeight: 530.95902

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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=CC4=CC=CC=C4N=C3)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=CC4=CC=CC=C4N=C3)Cl

InChI

InChI=1S/C28H23ClN4O5/c29-22-12-17(14-31-26(35)20-13-19-8-4-5-9-23(19)30-15-20)10-11-21(22)27(36)33-24(28(37)38)16-32-25(34)18-6-2-1-3-7-18/h1-13,15,24H,14,16H2,(H,31,35)(H,32,34)(H,33,36)(H,37,38)