2-[(E,2S)-1,11-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-(4-phenylphenyl)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-phenylphenyl)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-phenylphenyl)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-phenylphenyl)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-phenylphenyl)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-phenylbenzyl)ethyl]carbamoyl]-10-keto-heptadec-2-enyl]succinic acid Formula: C37H49NO9 MolecularWeight: 651.78626

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H49NO9/c1-2-3-4-7-13-18-30(39)19-14-8-5-6-9-15-20-31(37(47,36(45)46)26-33(40)41)34(42)38-32(35(43)44)25-27-21-23-29(24-22-27)28-16-11-10-12-17-28/h10-12,15-17,20-24,31-32,47H,2-9,13-14,18-19,25-26H2,1H3,(H,38,42)(H,40,41)(H,43,44)(H,45,46)/b20-15+/t31-,32+,37?/m1/s1