(phenylmethyl) N-[14-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-tetradecyl]carbamate

Systemtic Name: (phenylmethyl) N-[14-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-tetradecyl]carbamate Openeye Name: benzyl N-[14-[(2-amino-3-phenyl-propanoyl)amino]-2-oxo-tetradecyl]carbamate CAS Name: N-[14-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-oxotetradecyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[14-[(2-amino-3-phenylpropanoyl)amino]-2-oxotetradecyl]carbamate Traditional Name: N-[2-keto-14-(phenylalanylamino)tetradecyl]carbamic acid benzyl ester Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCCCCCCC(=O)CNC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCCCCCCC(=O)CNC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C31H45N3O4/c32-29(23-26-17-11-9-12-18-26)30(36)33-22-16-8-6-4-2-1-3-5-7-15-21-28(35)24-34-31(37)38-25-27-19-13-10-14-20-27/h9-14,17-20,29H,1-8,15-16,21-25,32H2,(H,33,36)(H,34,37)