(phenylmethyl) (3S)-3-acetamido-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (3S)-3-acetamido-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate Openeye Name: benzyl (3S)-3-acetamido-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-acetamido-3-[[oxo-[(3R)-3-piperidinyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-acetamido-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-acetamido-3-[[(3R)-nipecotoyl]amino]propionic acid benzyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC=CC=C1)NC(=O)C2CCCNC2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CCCNC2

InChI

InChI=1S/C18H25N3O4/c1-13(22)20-16(21-18(24)15-8-5-9-19-11-15)10-17(23)25-12-14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-12H2,1H3,(H,20,22)(H,21,24)/t15-,16+/m1/s1