5-azanyl-2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-5-keto-valeric acid Formula: C12H15ClN2O4S2 MolecularWeight: 350.8415

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCC(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H15ClN2O4S2/c13-9-3-1-7(21-9)5-20-6-11(17)15-8(12(18)19)2-4-10(14)16/h1,3,8H,2,4-6H2,(H2,14,16)(H,15,17)(H,18,19)