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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O4/c1-10(2)9-13(18)16(22)20-7-5-12(6-8-20)15(21)19-14(11(3)4)17(23)24/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t13-,14-/m0/s1