4-methylbenzenesulfonic acid; prop-2-enyl (2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanylidene-3-prop-2-enoxy-propyl]disulfanyl]propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanylidene-3-prop-2-enoxy-propyl]disulfanyl]propanoate Openeye Name: allyl (2R)-3-[[(2R)-3-allyloxy-2-amino-3-oxo-propyl]disulfanyl]-2-amino-propanoate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-prop-2-enoxypropyl]disulfanyl]propanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-prop-2-enoxypropyl]disulfanyl]propanoate Traditional Name: (2R)-3-[[(2R)-3-allyloxy-2-amino-3-keto-propyl]disulfanyl]-2-amino-propionic acid allyl ester; tosylic acid Formula: C26H36N2O10S4 MolecularWeight: 664.83144

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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.C=CCOC(=O)C(CSSCC(C(=O)OCC=C)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)[C@H](CSSC[C@@H](C(=O)OCC=C)N)N

InChI

InChI=1S/C12H20N2O4S2.2C7H8O3S/c1-3-5-17-11(15)9(13)7-19-20-8-10(14)12(16)18-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9-10H,1-2,5-8,13-14H2;2*2-5H,1H3,(H,8,9,10)/t9-,10-;;/m0../s1