methyl 2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]prop-2-enoate

Systemtic Name: methyl 2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]prop-2-enoate Openeye Name: methyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]prop-2-enoate CAS Name: 2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]prop-2-enoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]acrylic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(=C)NC(=O)[C@H](CCSC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O5S/c1-12(16(21)23-2)18-15(20)14(9-10-25-3)19-17(22)24-11-13-7-5-4-6-8-13/h4-8,14H,1,9-11H2,2-3H3,(H,18,20)(H,19,22)/t14-/m0/s1