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

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-4-methyl-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methylpentanoyl]piperidine-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-4-methyl-pentanoyl]isonipecotoyl]amino]-4-methyl-valerate Formula: C18H33N3O4 MolecularWeight: 355.47232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O4/c1-11(2)9-14(19)17(23)21-7-5-13(6-8-21)16(22)20-15(18(24)25)10-12(3)4/h11-15H,5-10,19H2,1-4H3,(H,20,22)(H,24,25)/t14-,15-/m0/s1