(phenylmethyl) (2R)-2-[[4-(4-methylphenyl)sulfonyl-1,4-thiazin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[4-(4-methylphenyl)sulfonyl-1,4-thiazin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (2R)-3-phenyl-2-[[4-(p-tolylsulfonyl)-1,4-thiazine-3-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[4-(4-methylphenyl)sulfonyl-1,4-thiazin-3-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[4-(4-methylphenyl)sulfonyl-1,4-thiazine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-[(4-tosyl-1,4-thiazine-3-carbonyl)amino]propionic acid benzyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=C2C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S2/c1-21-12-14-24(15-13-21)37(33,34)30-16-17-36-20-26(30)27(31)29-25(18-22-8-4-2-5-9-22)28(32)35-19-23-10-6-3-7-11-23/h2-17,20,25H,18-19H2,1H3,(H,29,31)/t25-/m1/s1