4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-[(2-azanyl-3-oxidanylidene-3-phenylmethoxy-propyl)disulfanyl]propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-[(2-azanyl-3-oxidanylidene-3-phenylmethoxy-propyl)disulfanyl]propanoate Openeye Name: benzyl 2-amino-3-[(2-amino-3-benzyloxy-3-oxo-propyl)disulfanyl]propanoate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)disulfanyl]propanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)disulfanyl]propanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-[(2-amino-3-benzoxy-3-keto-propyl)disulfanyl]propionic acid benzyl ester; tosylic acid Formula: C34H40N2O10S4 MolecularWeight: 764.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSSCC(C(=O)OCC2=CC=CC=C2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSSCC(C(=O)OCC2=CC=CC=C2)N)N

InChI

InChI=1S/C20H24N2O4S2.2C7H8O3S/c21-17(19(23)25-11-15-7-3-1-4-8-15)13-27-28-14-18(22)20(24)26-12-16-9-5-2-6-10-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17-18H,11-14,21-22H2;2*2-5H,1H3,(H,8,9,10)