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

Systemtic Name: 2-[(E,2S)-1-[[(2S)-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,11-bis(oxidanylidene)octadec-3-en-2-yl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[(E,1S)-1-[[(1S)-2-hydroxy-1-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]butanedioic acid CAS Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid IUPAC Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-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-methylbut-2-enoxy)benzyl]ethyl]carbamoyl]-10-keto-heptadec-2-enyl]succinic acid Formula: C36H53NO10 MolecularWeight: 659.80672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)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)OCC=C(C)C)C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36?/m1/s1