methyl (2S)-4-ethylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-ethylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-ethylsulfanyl-butanoate CAS Name: (2S)-4-(ethylthio)-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-ethylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-(ethylthio)butyric acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCSCC[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O5S/c1-3-32-15-14-20(23(28)30-2)25-22(27)21(16-18-10-6-4-7-11-18)26-24(29)31-17-19-12-8-5-9-13-19/h4-13,20-21H,3,14-17H2,1-2H3,(H,25,27)(H,26,29)/t20-,21-/m0/s1