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

Systemtic Name: (2S,3S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-[(2S)-2-ammonio-1-oxopropyl]-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-[(2S)-2-ammoniopropanoyl]isonipecotoyl]amino]-3-methyl-valerate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-4-9(2)12(15(21)22)17-13(19)11-5-7-18(8-6-11)14(20)10(3)16/h9-12H,4-8,16H2,1-3H3,(H,17,19)(H,21,22)/t9-,10-,12-/m0/s1