(2-phenyl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H29N3O6S2/c1-18(2)23(26(31)35-16-21-17-36-25(27-21)19-7-4-3-5-8-19)28-24(30)20-9-6-10-22(15-20)37(32,33)29-11-13-34-14-12-29/h3-10,15,17-18,23H,11-14,16H2,1-2H3,(H,28,30)/t23-/m0/s1