2-azanyl-5-[[3-(3-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(3-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(3-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[(3-bromo-6-hydroxy-1-cyclohexa-2,4-dienyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(3-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C16H22BrN3O7S MolecularWeight: 480.33078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O7S/c17-8-1-3-11(21)12(5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-12,21H,2,4,6-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)