(2S)-2-(3-methylbutylcarbamoylamino)-2-phenyl-propanoate

Systemtic Name: (2S)-2-(3-methylbutylcarbamoylamino)-2-phenyl-propanoate Openeye Name: (2S)-2-(isopentylcarbamoylamino)-2-phenyl-propanoate CAS Name: (2S)-2-[[(3-methylbutylamino)-oxomethyl]amino]-2-phenylpropanoate IUPAC Name: (2S)-2-(3-methylbutylcarbamoylamino)-2-phenylpropanoate Traditional Name: (2S)-2-(isoamylcarbamoylamino)-2-phenyl-propionate Formula: C15H21N2O3- MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(C)(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)N[C@@](C)(C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-11(2)9-10-16-14(20)17-15(3,13(18)19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)/p-1/t15-/m0/s1