(2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinyl]methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotoyl]amino]valerate Formula: C17H29N3O4 MolecularWeight: 339.42986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)C2CCC[NH2+]2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C17H29N3O4/c1-11(2)10-14(17(23)24)19-15(21)12-5-8-20(9-6-12)16(22)13-4-3-7-18-13/h11-14,18H,3-10H2,1-2H3,(H,19,21)(H,23,24)/t13-,14-/m0/s1