(diphenylmethyl) (2S)-2-azanyl-3-(1,3-thiazol-4-yl)propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (diphenylmethyl) (2S)-2-azanyl-3-(1,3-thiazol-4-yl)propanoate; 4-methylbenzenesulfonic acid Openeye Name: benzhydryl (2S)-2-amino-3-thiazol-4-yl-propanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-(4-thiazolyl)propanoic acid (diphenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzhydryl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-3-thiazol-4-yl-propionic acid benzhydryl ester; tosylic acid Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CC3=CSC=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@H](CC3=CSC=N3)N

InChI

InChI=1S/C19H18N2O2S.C7H8O3S/c20-17(11-16-12-24-13-21-16)19(22)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,12-13,17-18H,11,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m0./s1