(E)-8-(4-methoxyphenyl)-2-methyl-2-[6-oxidanylidene-3-[[5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentanoyl]amino]cyclohexa-1,3-dien-1-yl]oct-7-enoic acid

Systemtic Name: (E)-8-(4-methoxyphenyl)-2-methyl-2-[6-oxidanylidene-3-[[5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentanoyl]amino]cyclohexa-1,3-dien-1-yl]oct-7-enoic acid Openeye Name: (E)-8-(4-methoxyphenyl)-2-methyl-2-[6-oxo-3-[[5-oxo-5-(thiazol-2-ylamino)pentanoyl]amino]cyclohexa-1,3-dien-1-yl]oct-7-enoic acid CAS Name: (E)-2-[3-[[1,5-dioxo-5-(2-thiazolylamino)pentyl]amino]-6-oxo-1-cyclohexa-1,3-dienyl]-8-(4-methoxyphenyl)-2-methyl-7-octenoic acid IUPAC Name: (E)-8-(4-methoxyphenyl)-2-methyl-2-[6-oxo-3-[[5-oxo-5-(1,3-thiazol-2-ylamino)pentanoyl]amino]cyclohexa-1,3-dien-1-yl]oct-7-enoic acid Traditional Name: (E)-2-[6-keto-3-[[5-keto-5-(thiazol-2-ylamino)pentanoyl]amino]cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid Formula: C30H35N3O6S MolecularWeight: 565.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC=CC1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)CCCC(=O)NC3=NC=CS3)C(=O)O

Isomeric SMILES

CC(CCCC/C=C/C1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)CCCC(=O)NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C30H35N3O6S/c1-30(28(37)38,17-6-4-3-5-8-21-11-14-23(39-2)15-12-21)24-20-22(13-16-25(24)34)32-26(35)9-7-10-27(36)33-29-31-18-19-40-29/h5,8,11-15,18-20H,3-4,6-7,9-10,16-17H2,1-2H3,(H,32,35)(H,37,38)(H,31,33,36)/b8-5+