(2S)-4-methyl-2-(prop-2-ynoylamino)pentanoate

Systemtic Name: (2S)-4-methyl-2-(prop-2-ynoylamino)pentanoate Openeye Name: (2S)-4-methyl-2-(prop-2-ynoylamino)pentanoate CAS Name: (2S)-4-methyl-2-(1-oxoprop-2-ynylamino)pentanoate IUPAC Name: (2S)-4-methyl-2-(prop-2-ynoylamino)pentanoate Traditional Name: (2S)-4-methyl-2-(propioloylamino)valerate Formula: C9H12NO3- MolecularWeight: 182.19648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C#C

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C#C

InChI

InChI=1S/C9H13NO3/c1-4-8(11)10-7(9(12)13)5-6(2)3/h1,6-7H,5H2,2-3H3,(H,10,11)(H,12,13)/p-1/t7-/m0/s1