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

Systemtic Name: (phenylmethyl) N-[4-methyl-1-oxidanylidene-1-[[2-oxidanylidene-1-(pyridin-4-ylmethylsulfanyl)heptan-3-yl]amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[3-methyl-1-[1-[2-(4-pyridylmethylsulfanyl)acetyl]pentylcarbamoyl]butyl]carbamate CAS Name: N-[4-methyl-1-oxo-1-[[2-oxo-1-(pyridin-4-ylmethylthio)heptan-3-yl]amino]pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methyl-1-oxo-1-[[2-oxo-1-(pyridin-4-ylmethylsulfanyl)heptan-3-yl]amino]pentan-2-yl]carbamate Traditional Name: N-[3-methyl-1-[1-[2-(4-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=CC=NC=C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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