tert-butyl 3-methyl-2-[[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-2-enoate

Systemtic Name: tert-butyl 3-methyl-2-[[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-2-enoate Openeye Name: tert-butyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-but-2-enoate CAS Name: 2-[[(2S)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methyl-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbut-2-enoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-but-2-enoic acid tert-butyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC(C)(C)C)NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C

Isomeric SMILES

CC(=C(C(=O)OC(C)(C)C)NC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1)C

InChI

InChI=1S/C20H28N2O6/c1-13(2)16(18(25)28-20(3,4)5)22-17(24)15(11-23)21-19(26)27-12-14-9-7-6-8-10-14/h6-10,15,23H,11-12H2,1-5H3,(H,21,26)(H,22,24)/t15-/m0/s1