[3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-4-phenyl-butyl] 2,6-bis(chloranyl)-3-(2-morpholin-4-ylethylsulfonyl)benzoate

Systemtic Name: [3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-4-phenyl-butyl] 2,6-bis(chloranyl)-3-(2-morpholin-4-ylethylsulfonyl)benzoate Openeye Name: [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-oxo-4-phenyl-butyl] 2,6-dichloro-3-(2-morpholinoethylsulfonyl)benzoate CAS Name: 2,6-dichloro-3-[2-(4-morpholinyl)ethylsulfonyl]benzoic acid [3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxo-4-phenylbutyl] ester IUPAC Name: [3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxo-4-phenylbutyl] 2,6-dichloro-3-(2-morpholin-4-ylethylsulfonyl)benzoate Traditional Name: 2,6-dichloro-3-(2-morpholinoethylsulfonyl)benzoic acid [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-4-phenyl-butyl] ester Formula: C37H43Cl2N3O9S MolecularWeight: 776.72302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)S(=O)(=O)CCN3CCOCC3)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)S(=O)(=O)CCN3CCOCC3)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H43Cl2N3O9S/c1-25(2)21-30(41-37(46)51-23-27-11-7-4-8-12-27)35(44)40-29(22-26-9-5-3-6-10-26)31(43)24-50-36(45)33-28(38)13-14-32(34(33)39)52(47,48)20-17-42-15-18-49-19-16-42/h3-14,25,29-30H,15-24H2,1-2H3,(H,40,44)(H,41,46)