phenyl 2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: phenyl 2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: phenyl 2-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid phenyl ester IUPAC Name: phenyl 2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(glycylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid phenyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

CSCCC(C(=O)OC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C22H27N3O4S/c1-30-13-12-18(22(28)29-17-10-6-3-7-11-17)25-21(27)19(24-20(26)15-23)14-16-8-4-2-5-9-16/h2-11,18-19H,12-15,23H2,1H3,(H,24,26)(H,25,27)