2-azanyl-5-[cyclohexylmethyl(pyridin-3-yl)amino]-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-5-[cyclohexylmethyl(pyridin-3-yl)amino]-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid Openeye Name: 2-amino-5-[cyclohexylmethyl(3-pyridyl)amino]-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]pentanoic acid CAS Name: 2-amino-5-[cyclohexylmethyl(3-pyridinyl)amino]-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)pentanoic acid IUPAC Name: 2-amino-5-[cyclohexylmethyl(pyridin-3-yl)amino]-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylpentanoic acid Traditional Name: 2-amino-5-[cyclohexylmethyl(3-pyridyl)amino]-4-(methylthio)-2-[2-(o-tolyl)benzoyl]valeric acid Formula: C32H39N3O3S MolecularWeight: 545.73536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(CN(CC3CCCCC3)C4=CN=CC=C4)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(CN(CC3CCCCC3)C4=CN=CC=C4)SC)(C(=O)O)N

InChI

InChI=1S/C32H39N3O3S/c1-23-11-6-7-15-27(23)28-16-8-9-17-29(28)30(36)32(33,31(37)38)19-26(39-2)22-35(25-14-10-18-34-20-25)21-24-12-4-3-5-13-24/h6-11,14-18,20,24,26H,3-5,12-13,19,21-22,33H2,1-2H3,(H,37,38)