tert-butyl 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-iodophenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl 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-iodophenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl 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-iodophenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: 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-iodophenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl 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-iodophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: 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-iodobenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C33H45IN6O7S2 MolecularWeight: 828.78087

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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)I)NC(=O)OC(C)(C)C)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)I)NC(=O)OC(C)(C)C)N)C)C)OC

InChI

InChI=1S/C33H45IN6O7S2/c1-19-17-26(46-7)20(2)21(3)28(19)49(44,45)40-31(35)37-14-8-9-24(27(41)30-36-15-16-48-30)38-29(42)25(39-32(43)47-33(4,5)6)18-22-10-12-23(34)13-11-22/h10-13,15-17,24-25,27,41H,8-9,14,18H2,1-7H3,(H,38,42)(H,39,43)(H3,35,37,40)/t24-,25-,27?/m0/s1