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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NC(CCSC)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)[O-])[NH3+]

InChI

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