2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-azanyl-propanoate hydrochloride

Systemtic Name: 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-azanyl-propanoate hydrochloride Openeye Name: 2-[(4-phenylazophenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-amino-propanoate hydrochloride CAS Name: (2R)-3-(acetamidomethylthio)-2-aminopropanoic acid 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl ester hydrochloride IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethyl (2R)-3-(acetamidomethylsulfanyl)-2-aminopropanoate hydrochloride Traditional Name: (2R)-3-(acetamidomethylthio)-2-amino-propionic acid 2-(4-phenylazobenzyl)sulfonylethyl ester hydrochloride Formula: C21H27ClN4O5S2 MolecularWeight: 515.04588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)OCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)N.Cl

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)OCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C21H26N4O5S2.ClH/c1-16(26)23-15-31-13-20(22)21(27)30-11-12-32(28,29)14-17-7-9-19(10-8-17)25-24-18-5-3-2-4-6-18;/h2-10,20H,11-15,22H2,1H3,(H,23,26);1H/t20-;/m0./s1