2-oxidanyl-2-[(E)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]octadec-3-en-2-yl]butanedioic acid

Systemtic Name: 2-oxidanyl-2-[(E)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]octadec-3-en-2-yl]butanedioic acid Openeye Name: 2-[(E)-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]heptadec-2-enyl]-2-hydroxy-butanedioic acid CAS Name: 2-hydroxy-2-[(E)-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxooctadec-3-en-2-yl]butanedioic acid IUPAC Name: 2-hydroxy-2-[(E)-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxooctadec-3-en-2-yl]butanedioic acid Traditional Name: 2-[(E)-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]heptadec-2-enyl]-2-hydroxy-succinic acid Formula: C31H47NO8 MolecularWeight: 561.70678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C31H47NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(31(40,30(38)39)23-27(33)34)28(35)32-26(29(36)37)22-24-19-16-15-17-20-24/h15-21,25-26,40H,2-14,22-23H2,1H3,(H,32,35)(H,33,34)(H,36,37)(H,38,39)/b21-18+/t25?,26-,31?/m0/s1