phenyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: phenyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanyl-butanoate Openeye Name: phenyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-tert-butoxycarbonyl-amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-tert-butoxycarbonyl-amino]-4-(methylthio)butyric acid phenyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCSC)C(=O)OC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CCSC)C(=O)OC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)32-24(30)27(22(28)20(26)17-18-11-7-5-8-12-18)21(15-16-33-4)23(29)31-19-13-9-6-10-14-19/h5-14,20-21H,15-17,26H2,1-4H3/t20-,21-/m0/s1