tert-butyl N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C26H36N4O5S2 MolecularWeight: 548.71784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C26H36N4O5S2/c1-17(2)15-30(37(33,34)19-11-12-20-23(14-19)36-24(27)28-20)16-22(31)21(13-18-9-7-6-8-10-18)29-25(32)35-26(3,4)5/h6-12,14,17,21-22,31H,13,15-16H2,1-5H3,(H2,27,28)(H,29,32)