[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(pyridin-2-ylamino)ethyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(pyridin-2-ylamino)ethyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(2-pyridylamino)ethyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(2-pyridinylamino)ethyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(pyridin-2-ylamino)ethyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-[2-(2-pyridylamino)ethyl]amino]-1-benzyl-2-hydroxy-propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C33H38N6O8S2 MolecularWeight: 710.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CCNC3=CC=CC=N3)CC(C(CC4=CC=CC=C4)NC(=O)OC5COC6C5CCO6)O

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CCNC3=CC=CC=N3)C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6)O

InChI

InChI=1S/C33H38N6O8S2/c1-21(40)36-32-37-25-11-10-23(18-29(25)48-32)49(43,44)39(15-14-35-30-9-5-6-13-34-30)19-27(41)26(17-22-7-3-2-4-8-22)38-33(42)47-28-20-46-31-24(28)12-16-45-31/h2-11,13,18,24,26-28,31,41H,12,14-17,19-20H2,1H3,(H,34,35)(H,38,42)(H,36,37,40)/t24-,26-,27+,28-,31+/m0/s1