2-[[4-[(heptan-4-ylamino)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(heptan-4-ylamino)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(1-propylbutylamino)oxymethyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[4-[(heptan-4-ylamino)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(heptan-4-ylamino)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(1-propylbutylamino)oxymethyl]benzoyl]amino]butyric acid Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NOCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCC(CCC)NOCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C27H38N2O4S/c1-5-9-21(10-6-2)29-33-18-20-13-14-23(24(17-20)22-12-8-7-11-19(22)3)26(30)28-25(27(31)32)15-16-34-4/h7-8,11-14,17,21,25,29H,5-6,9-10,15-16,18H2,1-4H3,(H,28,30)(H,31,32)