2-[(E,2S)-1,11-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-(4-pyridin-3-ylphenyl)propan-2-yl]amino]octadec-3-en-2-yl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[(E,2S)-1,11-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-(4-pyridin-3-ylphenyl)propan-2-yl]amino]octadec-3-en-2-yl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[(E,1S)-1-[[(1S)-2-hydroxy-2-oxo-1-[[4-(3-pyridyl)phenyl]methyl]ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]butanedioic acid CAS Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-1-oxo-3-[4-(3-pyridinyl)phenyl]propan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid IUPAC Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-1-oxo-3-(4-pyridin-3-ylphenyl)propan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid Traditional Name: 2-hydroxy-2-[(E,1S)-1-[[(1S)-2-hydroxy-2-keto-1-[4-(3-pyridyl)benzyl]ethyl]carbamoyl]-10-keto-heptadec-2-enyl]succinic acid Formula: C36H48N2O9 MolecularWeight: 652.77432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)C2=CN=CC=C2)C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CN=CC=C2)C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C36H48N2O9/c1-2-3-4-7-10-15-29(39)16-11-8-5-6-9-12-17-30(36(47,35(45)46)24-32(40)41)33(42)38-31(34(43)44)23-26-18-20-27(21-19-26)28-14-13-22-37-25-28/h12-14,17-22,25,30-31,47H,2-11,15-16,23-24H2,1H3,(H,38,42)(H,40,41)(H,43,44)(H,45,46)/b17-12+/t30-,31+,36?/m1/s1