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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-ethanoylsulfanyl-1-oxidanylidene-propan-2-yl]-ethyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]-ethyl-amino]-4-amino-5-oxo-pentanoic acid CAS Name: 5-[[3-(acetylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl]-ethylamino]-4-amino-5-oxopentanoic acid IUPAC Name: 5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]-ethylamino]-4-amino-5-oxopentanoic acid Traditional Name: 5-[[1-[(acetylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]-ethyl-amino]-4-amino-5-keto-valeric acid Formula: C14H23N3O7S MolecularWeight: 377.41332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O7S/c1-3-17(14(24)9(15)4-5-11(19)20)10(7-25-8(2)18)13(23)16-6-12(21)22/h9-10H,3-7,15H2,1-2H3,(H,16,23)(H,19,20)(H,21,22)