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

Systemtic Name: 5-[[3-[5-acetamido-4-(5-acetamido-2-oxidanyl-phenyl)-2-oxidanyl-phenyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[[5-acetamido-4-(5-acetamido-2-hydroxy-phenyl)-2-hydroxy-phenyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: 5-[[3-[[5-acetamido-4-(5-acetamido-2-hydroxyphenyl)-2-hydroxyphenyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: 5-[[3-[5-acetamido-4-(5-acetamido-2-hydroxyphenyl)-2-hydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid Traditional Name: 5-[[1-[[[5-acetamido-4-(5-acetamido-2-hydroxy-phenyl)-2-hydroxy-phenyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C26H31N5O10S MolecularWeight: 605.61684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)C2=CC(=C(C=C2NC(=O)C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)C2=CC(=C(C=C2NC(=O)C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

InChI

InChI=1S/C26H31N5O10S/c1-12(32)29-14-3-5-20(34)16(7-14)15-8-21(35)22(9-18(15)30-13(2)33)42-11-19(25(39)28-10-24(37)38)31-23(36)6-4-17(27)26(40)41/h3,5,7-9,17,19,34-35H,4,6,10-11,27H2,1-2H3,(H,28,39)(H,29,32)(H,30,33)(H,31,36)(H,37,38)(H,40,41)