methyl 2-[[2-[(2-azanyl-3-methyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[(2-azanyl-3-methyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(2-amino-3-methyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-3-methylbutyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-3-methylbutyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-amino-3-methyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)N

Isomeric SMILES

CC(C)C(CNC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)N

InChI

InChI=1S/C20H33N3O3S/c1-14(2)16(21)13-22-18(12-15-8-6-5-7-9-15)19(24)23-17(10-11-27-4)20(25)26-3/h5-9,14,16-18,22H,10-13,21H2,1-4H3,(H,23,24)