[(2-azanyl-3-sulfanyl-propyl)amino] 2-[[2-azanyl-3-(3-methylphenyl)propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2-azanyl-3-sulfanyl-propyl)amino] 2-[[2-azanyl-3-(3-methylphenyl)propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoate Openeye Name: [(2-amino-3-sulfanyl-propyl)amino] 2-[[2-amino-3-(m-tolyl)propanoyl]-pentyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(3-methylphenyl)-1-oxopropyl]-pentylamino]-4-(methylthio)butanoic acid [(2-amino-3-mercaptopropyl)amino] ester IUPAC Name: [(2-amino-3-sulfanylpropyl)amino] 2-[[2-amino-3-(3-methylphenyl)propanoyl]-pentylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-(m-tolyl)propanoyl]-amyl-amino]-4-(methylthio)butyric acid [(2-amino-3-mercapto-propyl)amino] ester Formula: C23H40N4O3S2 MolecularWeight: 484.7187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(CCSC)C(=O)ONCC(CS)N)C(=O)C(CC1=CC=CC(=C1)C)N

Isomeric SMILES

CCCCCN(C(CCSC)C(=O)ONCC(CS)N)C(=O)C(CC1=CC=CC(=C1)C)N

InChI

InChI=1S/C23H40N4O3S2/c1-4-5-6-11-27(22(28)20(25)14-18-9-7-8-17(2)13-18)21(10-12-32-3)23(29)30-26-15-19(24)16-31/h7-9,13,19-21,26,31H,4-6,10-12,14-16,24-25H2,1-3H3