tert-butyl (E,4R)-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanyl-pent-2-enoate

Systemtic Name: tert-butyl (E,4R)-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanyl-pent-2-enoate Openeye Name: tert-butyl (E,4R)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-hydroxy-pent-2-enoate CAS Name: (E,4R)-5-hydroxy-4-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4R)-5-hydroxy-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pent-2-enoate Traditional Name: (E,4R)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-hydroxy-pent-2-enoic acid tert-butyl ester Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O6/c1-16(2)13-19(25-22(29)30-15-17-9-7-6-8-10-17)21(28)24-18(14-26)11-12-20(27)31-23(3,4)5/h6-12,16,18-19,26H,13-15H2,1-5H3,(H,24,28)(H,25,29)/b12-11+/t18-,19+/m1/s1