2-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(2S)-3-methyl-2-(m-toluoylamino)butanoyl]amino]-4-(methylthio)butyric acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C18H26N2O4S/c1-11(2)15(17(22)19-14(18(23)24)8-9-25-4)20-16(21)13-7-5-6-12(3)10-13/h5-7,10-11,14-15H,8-9H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t14?,15-/m0/s1