(phenylmethyl) N-[4-methyl-1-oxidanylidene-1-[[2-oxidanylidene-1-(pyridin-3-ylmethylsulfanyl)heptan-3-yl]amino]pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-methyl-1-oxidanylidene-1-[[2-oxidanylidene-1-(pyridin-3-ylmethylsulfanyl)heptan-3-yl]amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[3-methyl-1-[1-[2-(3-pyridylmethylsulfanyl)acetyl]pentylcarbamoyl]butyl]carbamate CAS Name: N-[4-methyl-1-oxo-1-[[2-oxo-1-(3-pyridinylmethylthio)heptan-3-yl]amino]pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methyl-1-oxo-1-[[2-oxo-1-(pyridin-3-ylmethylsulfanyl)heptan-3-yl]amino]pentan-2-yl]carbamate Traditional Name: N-[3-methyl-1-[1-[2-(3-pyridylmethylthio)acetyl]pentylcarbamoyl]butyl]carbamic acid benzyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CN=CC=C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CN=CC=C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H37N3O4S/c1-4-5-13-23(25(31)19-35-18-22-12-9-14-28-16-22)29-26(32)24(15-20(2)3)30-27(33)34-17-21-10-7-6-8-11-21/h6-12,14,16,20,23-24H,4-5,13,15,17-19H2,1-3H3,(H,29,32)(H,30,33)