ethyl 1-[5-[bis(azanyl)methylideneamino]-2-(hexadecanoylamino)pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[5-[bis(azanyl)methylideneamino]-2-(hexadecanoylamino)pentanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[5-guanidino-2-(hexadecanoylamino)pentanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[5-(diaminomethylideneamino)-1-oxo-2-(1-oxohexadecylamino)pentyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(diaminomethylideneamino)-2-(hexadecanoylamino)pentanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-(5-guanidino-2-palmitamido-pentanoyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C29H55N5O4 MolecularWeight: 537.7781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)OCC

InChI

InChI=1S/C29H55N5O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-26(35)33-24(19-17-22-32-29(30)31)27(36)34-23-18-20-25(34)28(37)38-4-2/h24-25H,3-23H2,1-2H3,(H,33,35)(H4,30,31,32)