(phenylmethyl) N-[2-azanyl-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-N-(5-azanylpentyl)carbamate

Systemtic Name: (phenylmethyl) N-[2-azanyl-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-N-(5-azanylpentyl)carbamate Openeye Name: benzyl N-(5-aminopentyl)-N-[2-amino-3-(p-tolylmethylsulfanyl)propanoyl]carbamate CAS Name: N-[2-amino-3-[(4-methylphenyl)methylthio]-1-oxopropyl]-N-(5-aminopentyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-N-(5-aminopentyl)carbamate Traditional Name: N-[2-amino-3-[(4-methylbenzyl)thio]propanoyl]-N-(5-aminopentyl)carbamic acid benzyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)N(CCCCCN)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)N(CCCCCN)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C24H33N3O3S/c1-19-10-12-21(13-11-19)17-31-18-22(26)23(28)27(15-7-3-6-14-25)24(29)30-16-20-8-4-2-5-9-20/h2,4-5,8-13,22H,3,6-7,14-18,25-26H2,1H3