2-acetamido-5-[[1-[[2-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-[[1-[[2-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[2-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[1-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[1-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[2-[[2-[(1,4-diketo-2,3-dihydrophthalazin-5-yl)amino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C20H24N6O8S MolecularWeight: 508.50496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)NC1=CC=CC2=C1C(=O)NNC2=O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)NC1=CC=CC2=C1C(=O)NNC2=O)C(=O)O

InChI

InChI=1S/C20H24N6O8S/c1-9(27)22-12(20(33)34)5-6-14(28)24-13(8-35)18(31)21-7-15(29)23-11-4-2-3-10-16(11)19(32)26-25-17(10)30/h2-4,12-13,35H,5-8H2,1H3,(H,21,31)(H,22,27)(H,23,29)(H,24,28)(H,25,30)(H,26,32)(H,33,34)