(phenylmethyl) 4-[methylsulfonyl-[2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[methylsulfonyl-[2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: benzyl 4-[methylsulfonyl-[2-(morpholine-4-carbonylamino)-3-phenyl-propanoyl]amino]-3-oxo-azepane-1-carboxylate CAS Name: 4-[methylsulfonyl-[2-[[4-morpholinyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxo-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[methylsulfonyl-[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]-3-oxoazepane-1-carboxylate Traditional Name: 3-keto-4-[mesyl-[2-(morpholine-4-carbonylamino)-3-phenyl-propanoyl]amino]azepane-1-carboxylic acid benzyl ester Formula: C29H36N4O8S MolecularWeight: 600.68314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1CCCN(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N(C1CCCN(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)N4CCOCC4

InChI

InChI=1S/C29H36N4O8S/c1-42(38,39)33(25-13-8-14-32(20-26(25)34)29(37)41-21-23-11-6-3-7-12-23)27(35)24(19-22-9-4-2-5-10-22)30-28(36)31-15-17-40-18-16-31/h2-7,9-12,24-25H,8,13-21H2,1H3,(H,30,36)