ethyl 2-[(3S)-4-[(2R)-2-azanylpropanoyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-4-[(2R)-2-azanylpropanoyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-[(2R)-2-aminopropanoyl]-3-benzyl-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[(3S)-4-[(2R)-2-amino-1-oxopropyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-[(2R)-2-aminopropanoyl]-3-benzyl-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[(3S)-4-[(2R)-2-aminopropanoyl]-3-benzyl-2-keto-piperazino]acetic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1=O)CC2=CC=CC=C2)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)CN1CCN([C@H](C1=O)CC2=CC=CC=C2)C(=O)[C@@H](C)N

InChI

InChI=1S/C18H25N3O4/c1-3-25-16(22)12-20-9-10-21(17(23)13(2)19)15(18(20)24)11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12,19H2,1-2H3/t13-,15+/m1/s1