2-azanyl-5-[[3-[5-[2-(2-carboxyethylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[5-[2-(2-carboxyethylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[5-[2-(2-carboxyethylamino)-3-hydroxy-3-oxo-propyl]-2,3-dihydroxy-phenyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[5-[2-(2-carboxyethylamino)-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[5-[2-(2-carboxyethylamino)-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[5-[2-(2-carboxyethylamino)-3-hydroxy-3-keto-propyl]-2,3-dihydroxy-phenyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C22H30N4O12S MolecularWeight: 574.5582

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NCCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NCCC(=O)O

InChI

InChI=1S/C22H30N4O12S/c23-11(21(35)36)1-2-16(28)26-13(20(34)25-8-18(31)32)9-39-15-7-10(6-14(27)19(15)33)5-12(22(37)38)24-4-3-17(29)30/h6-7,11-13,24,27,33H,1-5,8-9,23H2,(H,25,34)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)