N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-1-[3-(4-hydroxyphenyl)-2-(2-sulfanylethanoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-1-[3-(4-hydroxyphenyl)-2-(2-sulfanylethanoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(1-carbamoyl-3-methylsulfanyl-propyl)-1-[3-(4-hydroxyphenyl)-2-[(2-sulfanylacetyl)amino]propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[1-amino-4-(methylthio)-1-oxobutan-2-yl]-1-[3-(4-hydroxyphenyl)-2-[(2-mercapto-1-oxoethyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-1-[3-(4-hydroxyphenyl)-2-[(2-sulfanylacetyl)amino]propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[1-carbamoyl-3-(methylthio)propyl]-1-[3-(4-hydroxyphenyl)-2-[(2-mercaptoacetyl)amino]propanoyl]pyrrolidine-2-carboxamide Formula: C21H30N4O5S2 MolecularWeight: 482.6167

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CS

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CS

InChI

InChI=1S/C21H30N4O5S2/c1-32-10-8-15(19(22)28)24-20(29)17-3-2-9-25(17)21(30)16(23-18(27)12-31)11-13-4-6-14(26)7-5-13/h4-7,15-17,26,31H,2-3,8-12H2,1H3,(H2,22,28)(H,23,27)(H,24,29)