1,2-bis(2-azanylpropanoyl)-3-[(E)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1,2-bis(2-azanylpropanoyl)-3-[(E)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1,2-bis(2-aminopropanoyl)-3-[(E)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1,2-bis(2-amino-1-oxopropyl)-3-[(E)-1-oxooctadec-9-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1,2-bis(2-aminopropanoyl)-3-[(E)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1,2-dialanyl-3-[(E)-octadec-9-enoyl]proline Formula: C29H51N3O5 MolecularWeight: 521.73234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1CCN(C1(C(=O)C(C)N)C(=O)O)C(=O)C(C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1CCN(C1(C(=O)C(C)N)C(=O)O)C(=O)C(C)N

InChI

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