(phenylmethyl) N-[1-[[4-(2-acetamidoethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[4-(2-acetamidoethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[[3-(2-acetamidoethylsulfanyl)-1-benzyl-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[4-(2-acetamidoethylthio)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[4-(2-acetamidoethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[3-(2-acetamidoethylthio)-1-benzyl-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCCNC(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCCNC(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O5S/c1-20(2)16-25(31-28(35)36-18-23-12-8-5-9-13-23)27(34)30-24(17-22-10-6-4-7-11-22)26(33)19-37-15-14-29-21(3)32/h4-13,20,24-25H,14-19H2,1-3H3,(H,29,32)(H,30,34)(H,31,35)