propan-2-yl (2S)-2-[(1-butylpyrazol-4-yl)sulfonyl-[[(2S)-4,4-dimethyl-1,3-thiazolidin-2-yl]carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: propan-2-yl (2S)-2-[(1-butylpyrazol-4-yl)sulfonyl-[[(2S)-4,4-dimethyl-1,3-thiazolidin-2-yl]carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: isopropyl (2S)-2-[(1-butylpyrazol-4-yl)sulfonyl-[(2S)-4,4-dimethylthiazolidine-2-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: (2S)-2-[(1-butyl-4-pyrazolyl)sulfonyl-[[(2S)-4,4-dimethyl-2-thiazolidinyl]-oxomethyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[(1-butylpyrazol-4-yl)sulfonyl-[(2S)-4,4-dimethyl-1,3-thiazolidine-2-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: (2S)-2-[(1-butylpyrazol-4-yl)sulfonyl-[(2S)-4,4-dimethylthiazolidine-2-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid isopropyl ester Formula: C28H41N5O7S2 MolecularWeight: 623.78444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=N1)S(=O)(=O)N(C(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)C)C(=O)C3NC(CS3)(C)C

Isomeric SMILES

CCCCN1C=C(C=N1)S(=O)(=O)N([C@@H](CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)C)C(=O)[C@H]3NC(CS3)(C)C

InChI

InChI=1S/C28H41N5O7S2/c1-8-9-14-32-17-22(16-29-32)42(37,38)33(25(34)24-30-28(4,5)18-41-24)23(26(35)39-19(2)3)15-20-10-12-21(13-11-20)40-27(36)31(6)7/h10-13,16-17,19,23-24,30H,8-9,14-15,18H2,1-7H3/t23-,24-/m0/s1