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

Systemtic Name: (2R)-2-[[1-[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[[1-[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[1-[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[1-[(2S,3S)-2-azaniumyl-3-methylpentanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[1-[(2S,3S)-2-ammonio-3-methyl-pentanoyl]isonipecotoyl]amino]-3-methyl-butyrate Formula: C17H31N3O4 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O4/c1-5-11(4)13(18)16(22)20-8-6-12(7-9-20)15(21)19-14(10(2)3)17(23)24/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t11-,13-,14+/m0/s1