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

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-(phenylcarbamoyl)amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[4-cyclohexyl-N-(phenylcarbamoyl)anilino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[(N-[anilino(oxo)methyl]-4-cyclohexylanilino)methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[4-cyclohexyl-N-(phenylcarbamoyl)anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[4-cyclohexyl-N-(phenylcarbamoyl)anilino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O5/c34-27(29(36)37)19-31-28(35)24-13-11-21(12-14-24)20-33(30(38)32-25-9-5-2-6-10-25)26-17-15-23(16-18-26)22-7-3-1-4-8-22/h2,5-6,9-18,22,27,34H,1,3-4,7-8,19-20H2,(H,31,35)(H,32,38)(H,36,37)