2-azanyl-5-[[1-(carboxymethylamino)-3-[1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)-2-oxo-ethyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[2-(4-hydroxy-3-methoxy-phenyl)-2-keto-1-methylol-ethyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C20H27N3O10S MolecularWeight: 501.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

InChI

InChI=1S/C20H27N3O10S/c1-33-14-6-10(2-4-13(14)25)18(29)15(8-24)34-9-12(19(30)22-7-17(27)28)23-16(26)5-3-11(21)20(31)32/h2,4,6,11-12,15,24-25H,3,5,7-9,21H2,1H3,(H,22,30)(H,23,26)(H,27,28)(H,31,32)