3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)phenyl]-[[(4-methyl-3-methylsulfonylanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-methylsulfonylphenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(3-mesyl-4-methyl-phenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C32H35N3O6S MolecularWeight: 589.7018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C32H35N3O6S/c1-21-8-17-27(20-28(21)42(2,40)41)34-32(39)35-30(24-11-9-23(10-12-24)22-6-4-3-5-7-22)25-13-15-26(16-14-25)31(38)33-19-18-29(36)37/h6,8-17,20,30H,3-5,7,18-19H2,1-2H3,(H,33,38)(H,36,37)(H2,34,35,39)