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

Systemtic Name: (2S,3S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-[(2S)-2-ammonio-4-(methylthio)butanoyl]isonipecotoyl]amino]-3-methyl-valerate Formula: C17H31N3O4S MolecularWeight: 373.51074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O4S/c1-4-11(2)14(17(23)24)19-15(21)12-5-8-20(9-6-12)16(22)13(18)7-10-25-3/h11-14H,4-10,18H2,1-3H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1