4-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-2-[[1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]methyl]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-2-[[1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]methyl]butanoic acid Openeye Name: 4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[1-[[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]cyclopentyl]methyl]butanoic acid CAS Name: 4-(1,3-dioxo-2-benzo[f]isoindolyl)-2-[[1-[[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]cyclopentyl]methyl]butanoic acid IUPAC Name: 4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentyl]methyl]butanoic acid Traditional Name: 4-(1,3-diketobenz[f]isoindol-2-yl)-2-[[1-[[(1S)-2-keto-2-(methylamino)-1-p-anisyl-ethyl]carbamoyl]cyclopentyl]methyl]butyric acid Formula: C34H37N3O7 MolecularWeight: 599.67348

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C2(CCCC2)CC(CCN3C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)C2(CCCC2)CC(CCN3C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C(=O)O

InChI

InChI=1S/C34H37N3O7/c1-35-29(38)28(17-21-9-11-25(44-2)12-10-21)36-33(43)34(14-5-6-15-34)20-24(32(41)42)13-16-37-30(39)26-18-22-7-3-4-8-23(22)19-27(26)31(37)40/h3-4,7-12,18-19,24,28H,5-6,13-17,20H2,1-2H3,(H,35,38)(H,36,43)(H,41,42)/t24?,28-/m0/s1