(phenylmethyl) 4-[[4-methyl-2-[methylsulfonyl(2-naphthalen-2-ylethanoyl)amino]pentanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-methyl-2-[methylsulfonyl(2-naphthalen-2-ylethanoyl)amino]pentanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: benzyl 4-[[4-methyl-2-[methylsulfonyl-[2-(2-naphthyl)acetyl]amino]pentanoyl]amino]-3-oxo-azepane-1-carboxylate CAS Name: 4-[[4-methyl-2-[methylsulfonyl-[2-(2-naphthalenyl)-1-oxoethyl]amino]-1-oxopentyl]amino]-3-oxo-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-methyl-2-[methylsulfonyl-(2-naphthalen-2-ylacetyl)amino]pentanoyl]amino]-3-oxoazepane-1-carboxylate Traditional Name: 3-keto-4-[[2-[mesyl-[2-(2-naphthyl)acetyl]amino]-4-methyl-pentanoyl]amino]azepane-1-carboxylic acid benzyl ester Formula: C33H39N3O7S MolecularWeight: 621.74366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)OCC2=CC=CC=C2)N(C(=O)CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)OCC2=CC=CC=C2)N(C(=O)CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C

InChI

InChI=1S/C33H39N3O7S/c1-23(2)18-29(36(44(3,41)42)31(38)20-25-15-16-26-12-7-8-13-27(26)19-25)32(39)34-28-14-9-17-35(21-30(28)37)33(40)43-22-24-10-5-4-6-11-24/h4-8,10-13,15-16,19,23,28-29H,9,14,17-18,20-22H2,1-3H3,(H,34,39)