tert-butyl (E)-4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanyl-pent-2-enoate

Systemtic Name: tert-butyl (E)-4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanyl-pent-2-enoate Openeye Name: tert-butyl (E)-4-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-hydroxy-pent-2-enoate CAS Name: (E)-5-hydroxy-4-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-hydroxy-4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pent-2-enoate Traditional Name: (E)-4-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-hydroxy-pent-2-enoic acid tert-butyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6/c1-15(2)19(24-21(28)29-14-16-9-7-6-8-10-16)20(27)23-17(13-25)11-12-18(26)30-22(3,4)5/h6-12,15,17,19,25H,13-14H2,1-5H3,(H,23,27)(H,24,28)/b12-11+