(phenylmethyl) 2-azanyl-2-[4-methyl-2-(pyridin-4-ylcarbonylamino)pentanoyl]-3-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-2-[4-methyl-2-(pyridin-4-ylcarbonylamino)pentanoyl]-3-oxidanylidene-piperidine-1-carboxylate Openeye Name: benzyl 2-amino-2-[4-methyl-2-(pyridine-4-carbonylamino)pentanoyl]-3-oxo-piperidine-1-carboxylate CAS Name: 2-amino-2-[4-methyl-1-oxo-2-[[oxo(pyridin-4-yl)methyl]amino]pentyl]-3-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-2-[4-methyl-2-(pyridine-4-carbonylamino)pentanoyl]-3-oxopiperidine-1-carboxylate Traditional Name: 2-amino-2-(2-isonicotinamido-4-methyl-pentanoyl)-3-keto-piperidine-1-carboxylic acid benzyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1(C(=O)CCCN1C(=O)OCC2=CC=CC=C2)N)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)CC(C(=O)C1(C(=O)CCCN1C(=O)OCC2=CC=CC=C2)N)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C25H30N4O5/c1-17(2)15-20(28-23(32)19-10-12-27-13-11-19)22(31)25(26)21(30)9-6-14-29(25)24(33)34-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,20H,6,9,14-16,26H2,1-2H3,(H,28,32)