2-[3-[[4-[[5-(carboxymethyl)-2-methyl-4-oxidanylidene-2-[(E)-pent-1-enyl]-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-4-oxidanylidene-2-[(E)-pent-1-enyl]-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[[4-[[5-(carboxymethyl)-2-methyl-4-oxidanylidene-2-[(E)-pent-1-enyl]-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-4-oxidanylidene-2-[(E)-pent-1-enyl]-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: 2-[3-[[4-[[5-(carboxymethyl)-2-methyl-4-oxo-2-[(E)-pent-1-enyl]thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-4-oxo-2-[(E)-pent-1-enyl]thiazolidin-5-yl]acetic acid CAS Name: 2-[3-[[4-[[5-(carboxymethyl)-2-methyl-4-oxo-2-[(E)-pent-1-enyl]-3-thiazolidinyl]amino]-1-phthalazinyl]amino]-2-methyl-4-oxo-2-[(E)-pent-1-enyl]-5-thiazolidinyl]acetic acid IUPAC Name: 2-[3-[[4-[[5-(carboxymethyl)-2-methyl-4-oxo-2-[(E)-pent-1-enyl]-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-4-oxo-2-[(E)-pent-1-enyl]-1,3-thiazolidin-5-yl]acetic acid Traditional Name: 2-[3-[[4-[[5-(carboxymethyl)-4-keto-2-methyl-2-[(E)-pent-1-enyl]thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-4-keto-2-methyl-2-[(E)-pent-1-enyl]thiazolidin-5-yl]acetic acid Formula: C30H38N6O6S2 MolecularWeight: 642.78932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1(N(C(=O)C(S1)CC(=O)O)NC2=NN=C(C3=CC=CC=C32)NN4C(=O)C(SC4(C)C=CCCC)CC(=O)O)C

Isomeric SMILES

CCC/C=C/C1(SC(C(=O)N1NC2=NN=C(C3=CC=CC=C23)NN4C(SC(C4=O)CC(=O)O)(/C=C/CCC)C)CC(=O)O)C

InChI

InChI=1S/C30H38N6O6S2/c1-5-7-11-15-29(3)35(27(41)21(43-29)17-23(37)38)33-25-19-13-9-10-14-20(19)26(32-31-25)34-36-28(42)22(18-24(39)40)44-30(36,4)16-12-8-6-2/h9-16,21-22H,5-8,17-18H2,1-4H3,(H,31,33)(H,32,34)(H,37,38)(H,39,40)/b15-11+,16-12+