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(phenylmethyl) 4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate

(phenylmethyl) 4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name:(phenylmethyl) 4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate
Openeye Name:benzyl 4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxo-propyl]piperidine-1-carboxylate
CAS Name:4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxopropyl]-1-piperidinecarboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl 4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxopropyl]piperidine-1-carboxylate
Traditional Name:4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-keto-propyl]piperidine-1-carboxylic acid benzyl ester
Formula: C25H28N4O4
MolecularWeight: 448.51422
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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3


Isomeric SMILES

CN(C#N)C(=O)[C@H](CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3


InChI

InChI=1S/C25H28N4O4/c1-28(18-26)24(31)22(27-23(30)21-10-6-3-7-11-21)16-19-12-14-29(15-13-19)25(32)33-17-20-8-4-2-5-9-20/h2-11,19,22H,12-17H2,1H3,(H,27,30)/t22-/m0/s1


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