(phenylmethyl) N-[2-(2-azanylethanoylamino)ethanoyl]-N-pentatriacontan-18-yl-carbamate

Systemtic Name: (phenylmethyl) N-[2-(2-azanylethanoylamino)ethanoyl]-N-pentatriacontan-18-yl-carbamate Openeye Name: benzyl N-[2-[(2-aminoacetyl)amino]acetyl]-N-(1-heptadecyloctadecyl)carbamate CAS Name: N-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-N-pentatriacontan-18-ylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[(2-aminoacetyl)amino]acetyl]-N-pentatriacontan-18-ylcarbamate Traditional Name: N-[2-(glycylamino)acetyl]-N-(1-heptadecyloctadecyl)carbamic acid benzyl ester Formula: C47H85N3O4 MolecularWeight: 756.1955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)N(C(=O)CNC(=O)CN)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)N(C(=O)CNC(=O)CN)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C47H85N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44(39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50(46(52)41-49-45(51)40-48)47(53)54-42-43-36-32-31-33-37-43/h31-33,36-37,44H,3-30,34-35,38-42,48H2,1-2H3,(H,49,51)