tert-butyl (2S)-4-[[(Z)-3-oxidanylidenebut-1-enyl]carbamoylamino]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: tert-butyl (2S)-4-[[(Z)-3-oxidanylidenebut-1-enyl]carbamoylamino]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-4-[[(Z)-3-oxobut-1-enyl]carbamoylamino]butanoate CAS Name: (2S)-4-[[oxo-[[(Z)-3-oxobut-1-enyl]amino]methyl]amino]-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-[[(Z)-3-oxobut-1-enyl]carbamoylamino]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-[[(Z)-3-ketobut-1-enyl]carbamoylamino]butyric acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CNC(=O)NCCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)/C=C\NC(=O)NCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O6/c1-15(25)10-12-22-19(27)23-13-11-17(18(26)30-21(2,3)4)24-20(28)29-14-16-8-6-5-7-9-16/h5-10,12,17H,11,13-14H2,1-4H3,(H,24,28)(H2,22,23,27)/b12-10-/t17-/m0/s1