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

Systemtic Name: ethyl 2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C22H35N3O4S/c1-5-29-22(28)18(11-12-30-4)24-21(27)19(14-16-9-7-6-8-10-16)25-20(26)17(23)13-15(2)3/h6-10,15,17-19H,5,11-14,23H2,1-4H3,(H,24,27)(H,25,26)