aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: aniline; (2S)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-4-methylsulfanyl-butanoic acid CAS Name: aniline; (2S)-2-[[2-(3,5-dimethoxyphenyl)propan-2-yloxy-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-4-(methylthio)butyric acid; phenylamine Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)NC(CCSC)C(=O)O.C1=CC=C(C=C1)N

Isomeric SMILES

CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)N[C@@H](CCSC)C(=O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C17H25NO6S.C6H7N/c1-17(2,11-8-12(22-3)10-13(9-11)23-4)24-16(21)18-14(15(19)20)6-7-25-5;7-6-4-2-1-3-5-6/h8-10,14H,6-7H2,1-5H3,(H,18,21)(H,19,20);1-5H,7H2/t14-;/m0./s1