(2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-ammonio-3-methyl-butanoyl]prolyl]amino]-4-methyl-valerate Formula: C16H29N3O4 MolecularWeight: 327.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1CCCN1C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C16H29N3O4/c1-9(2)8-11(16(22)23)18-14(20)12-6-5-7-19(12)15(21)13(17)10(3)4/h9-13H,5-8,17H2,1-4H3,(H,18,20)(H,22,23)/t11-,12-,13-/m0/s1