tert-butyl N-[(2S,3R)-4-[(4-acetamido-3-chloranyl-phenyl)sulfonyl-methyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-4-[(4-acetamido-3-chloranyl-phenyl)sulfonyl-methyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-3-[(4-acetamido-3-chloro-phenyl)sulfonyl-methyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[(4-acetamido-3-chlorophenyl)sulfonyl-methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-[(4-acetamido-3-chlorophenyl)sulfonyl-methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[(4-acetamido-3-chloro-phenyl)sulfonyl-methyl-amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C24H32ClN3O6S MolecularWeight: 526.04538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)Cl

InChI

InChI=1S/C24H32ClN3O6S/c1-16(29)26-20-12-11-18(14-19(20)25)35(32,33)28(5)15-22(30)21(13-17-9-7-6-8-10-17)27-23(31)34-24(2,3)4/h6-12,14,21-22,30H,13,15H2,1-5H3,(H,26,29)(H,27,31)/t21-,22+/m0/s1