1,3-thiazol-5-ylmethyl N-[4-[(2-azanyl-1,3-benzoxazol-6-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate; 2,2,2-tris(fluoranyl)ethane-1,1-diol

Systemtic Name: 1,3-thiazol-5-ylmethyl N-[4-[(2-azanyl-1,3-benzoxazol-6-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate; 2,2,2-tris(fluoranyl)ethane-1,1-diol Openeye Name: thiazol-5-ylmethyl N-[3-[(2-amino-1,3-benzoxazol-6-yl)sulfonyl-(2-pyridylmethyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate; 2,2,2-trifluoroethane-1,1-diol CAS Name: N-[4-[(2-amino-1,3-benzoxazol-6-yl)sulfonyl-(2-pyridinylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid 5-thiazolylmethyl ester; 2,2,2-trifluoroethane-1,1-diol IUPAC Name: 1,3-thiazol-5-ylmethyl N-[4-[(2-amino-1,3-benzoxazol-6-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; 2,2,2-trifluoroethane-1,1-diol Traditional Name: N-[3-[(2-amino-1,3-benzoxazol-6-yl)sulfonyl-(2-pyridylmethyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid thiazol-5-ylmethyl ester; 2,2,2-trifluoroethane-1,1-diol Formula: C30H31F3N6O8S2 MolecularWeight: 724.72775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)N)O)NC(=O)OCC5=CN=CS5.C(C(F)(F)F)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)N)O)NC(=O)OCC5=CN=CS5.C(C(F)(F)F)(O)O

InChI

InChI=1S/C28H28N6O6S2.C2H3F3O2/c29-27-32-23-10-9-22(13-26(23)40-27)42(37,38)34(15-20-8-4-5-11-31-20)16-25(35)24(12-19-6-2-1-3-7-19)33-28(36)39-17-21-14-30-18-41-21;3-2(4,5)1(6)7/h1-11,13-14,18,24-25,35H,12,15-17H2,(H2,29,32)(H,33,36);1,6-7H