4-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(phenylcarbonylsulfanyl)propan-2-yl]-ethyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(phenylcarbonylsulfanyl)propan-2-yl]-ethyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-(benzoylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]-ethyl-amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[3-(benzoylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl]-ethylamino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[3-benzoylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]-ethylamino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[(benzoylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]-ethyl-amino]-5-keto-valeric acid Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CSC(=O)C1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CCC(=O)O)N

Isomeric SMILES

CCN(C(CSC(=O)C1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C19H25N3O7S/c1-2-22(18(28)13(20)8-9-15(23)24)14(17(27)21-10-16(25)26)11-30-19(29)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,20H2,1H3,(H,21,27)(H,23,24)(H,25,26)