(2R)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[1-[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[1-[(2S)-2-ammonio-4-(methylthio)butanoyl]isonipecotoyl]amino]-3-methyl-butyrate Formula: C16H29N3O4S MolecularWeight: 359.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C16H29N3O4S/c1-10(2)13(16(22)23)18-14(20)11-4-7-19(8-5-11)15(21)12(17)6-9-24-3/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t12-,13+/m0/s1