1-[2-(2-azanylpropanoylamino)propanoyl]-1-[(E)-octadec-9-enoyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[2-(2-azanylpropanoylamino)propanoyl]-1-[(E)-octadec-9-enoyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[2-(2-aminopropanoylamino)propanoyl]-1-[(E)-octadec-9-enoyl]pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]-1-[(E)-1-oxooctadec-9-enyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[2-(2-aminopropanoylamino)propanoyl]-1-[(E)-octadec-9-enoyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-[2-(alanylamino)propanoyl]-1-[(E)-octadec-9-enoyl]pyrrolidin-1-ium-2-carboxylic acid Formula: C29H52N3O5+ MolecularWeight: 522.74028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+]1(CCCC1C(=O)O)C(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+]1(CCCC1C(=O)O)C(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C29H51N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(33)32(22-19-20-25(32)29(36)37)28(35)24(3)31-27(34)23(2)30/h11-12,23-25H,4-10,13-22,30H2,1-3H3,(H-,31,34,36,37)/p+1/b12-11+