3-[[4-[[(4-cyclohexylphenyl)-[(3-ethanoylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-[(3-ethanoylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[N-[(3-acetylphenyl)carbamoyl]-4-cyclohexyl-anilino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[(N-[(3-acetylanilino)-oxomethyl]-4-cyclohexylanilino)methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[N-[(3-acetylphenyl)carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[N-[(3-acetylphenyl)carbamoyl]-4-cyclohexyl-anilino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C32H35N3O6 MolecularWeight: 557.6368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C32H35N3O6/c1-21(36)26-8-5-9-27(18-26)34-32(41)35(28-16-14-24(15-17-28)23-6-3-2-4-7-23)20-22-10-12-25(13-11-22)30(38)33-19-29(37)31(39)40/h5,8-18,23,29,37H,2-4,6-7,19-20H2,1H3,(H,33,38)(H,34,41)(H,39,40)