(2R)-N-[(2S)-1-[[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: (2R)-N-[(2S)-1-[[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: (2R)-N-[(1S)-2-[[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]amino]-1-[(4-chlorophenyl)methyl]-2-oxo-ethyl]-2-(benzylsulfonylamino)-3-phenyl-propanamide CAS Name: (2R)-N-[(2S)-1-[[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(2-thiazolyl)pentan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-2-(benzylsulfonylamino)-3-phenylpropanamide Traditional Name: (2R)-N-[(1S)-2-[[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]amino]-1-(4-chlorobenzyl)-2-keto-ethyl]-2-(benzylsulfonylamino)-3-phenyl-propionamide Formula: C44H52ClN7O8S3 MolecularWeight: 938.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(C2=NC=CS2)O)NC(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC=CS2)O)NC(=O)[C@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5)N)C)C)OC

InChI

InChI=1S/C44H52ClN7O8S3/c1-28-24-38(60-4)29(2)30(3)40(28)63(58,59)52-44(46)48-21-11-16-35(39(53)43-47-22-23-61-43)49-41(54)36(25-32-17-19-34(45)20-18-32)50-42(55)37(26-31-12-7-5-8-13-31)51-62(56,57)27-33-14-9-6-10-15-33/h5-10,12-15,17-20,22-24,35-37,39,51,53H,11,16,21,25-27H2,1-4H3,(H,49,54)(H,50,55)(H3,46,48,52)/t35-,36-,37+,39?/m0/s1