1-ethoxycarbonyloxyethyl 2-[[2-[[(2-azanyl-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-thiophen-3-yl-propanoyl]amino]propanoate

Systemtic Name: 1-ethoxycarbonyloxyethyl 2-[[2-[[(2-azanyl-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-thiophen-3-yl-propanoyl]amino]propanoate Openeye Name: 1-ethoxycarbonyloxyethyl 2-[[2-[[(2-amino-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-(3-thienyl)propanoyl]amino]propanoate CAS Name: 2-[[2-[[[2-amino-4-(methylthio)butyl]disulfanyl]methyl]-1-oxo-3-(3-thiophenyl)propyl]amino]propanoic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 2-[[2-[[(2-amino-4-methylsulfanylbutyl)disulfanyl]methyl]-3-thiophen-3-ylpropanoyl]amino]propanoate Traditional Name: 2-[[2-[[[2-amino-4-(methylthio)butyl]disulfanyl]methyl]-3-(3-thienyl)propanoyl]amino]propionic acid 1-carbethoxyoxyethyl ester Formula: C21H34N2O6S4 MolecularWeight: 538.76446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C(C)NC(=O)C(CC1=CSC=C1)CSSCC(CCSC)N

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C(C)NC(=O)C(CC1=CSC=C1)CSSCC(CCSC)N

InChI

InChI=1S/C21H34N2O6S4/c1-5-27-21(26)29-15(3)28-20(25)14(2)23-19(24)17(10-16-6-9-31-11-16)12-32-33-13-18(22)7-8-30-4/h6,9,11,14-15,17-18H,5,7-8,10,12-13,22H2,1-4H3,(H,23,24)