3-[[2-[(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-phenyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-phenyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(N-[2-methyl-1-(phenylcarbamoyl)propyl]anilino)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-(N-(1-anilino-3-methyl-1-oxobutan-2-yl)anilino)-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(N-(1-anilino-3-methyl-1-oxobutan-2-yl)anilino)-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-keto-2-(N-[2-methyl-1-(phenylcarbamoyl)propyl]anilino)ethyl]carbamoylamino]benzoic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C27H28N4O5/c1-18(2)24(25(33)29-20-11-5-3-6-12-20)31(22-14-7-4-8-15-22)23(32)17-28-27(36)30-21-13-9-10-19(16-21)26(34)35/h3-16,18,24H,17H2,1-2H3,(H,29,33)(H,34,35)(H2,28,30,36)