tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-(prop-2-ynylamino)butanoate

Systemtic Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-(prop-2-ynylamino)butanoate Openeye Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(prop-2-ynylamino)butanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(prop-2-ynylamino)butanoate Traditional Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-4-(propargylamino)butyric acid tert-butyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)NCC#C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)NCC#C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C26H28N2O5/c1-5-14-27-24(30)22(15-23(29)33-26(2,3)4)28-25(31)32-16-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h1,6-13,21-22H,14-16H2,2-4H3,(H,27,30)(H,28,31)/t22-/m0/s1