(3-sulfanylpropylamino) 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-sulfanylpropylamino) 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate Openeye Name: (3-sulfanylpropylamino) 2-[(2-amino-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methylpentyl)amino]-4-(methylthio)butanoic acid (3-mercaptopropylamino) ester IUPAC Name: (3-sulfanylpropylamino) 2-[(2-amino-3-phenylpropanoyl)-(3-methylpentyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[3-methylpentyl(phenylalanyl)amino]-4-(methylthio)butyric acid (3-mercaptopropylamino) ester Formula: C23H39N3O3S2 MolecularWeight: 469.70406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCN(C(CCSC)C(=O)ONCCCS)C(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CCC(C)CCN(C(CCSC)C(=O)ONCCCS)C(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C23H39N3O3S2/c1-4-18(2)11-14-26(22(27)20(24)17-19-9-6-5-7-10-19)21(12-16-31-3)23(28)29-25-13-8-15-30/h5-7,9-10,18,20-21,25,30H,4,8,11-17,24H2,1-3H3