tert-butyl (E,5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate

Systemtic Name: tert-butyl (E,5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Openeye Name: tert-butyl (E,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-hex-2-enoate CAS Name: (E,5S)-4-oxo-5-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,5S)-4-oxo-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Traditional Name: (E,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-hex-2-enoic acid tert-butyl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O6/c1-19(23(30)15-16-24(31)35-27(2,3)4)28-25(32)22(17-20-11-7-5-8-12-20)29-26(33)34-18-21-13-9-6-10-14-21/h5-16,19,22H,17-18H2,1-4H3,(H,28,32)(H,29,33)/b16-15+/t19-,22-/m0/s1