4H-1,2,3-benzotriazin-3-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate

Systemtic Name: 4H-1,2,3-benzotriazin-3-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate Openeye Name: 4H-1,2,3-benzotriazin-3-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methylbutanoic acid 4H-1,2,3-benzotriazin-3-yl ester IUPAC Name: 4H-1,2,3-benzotriazin-3-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyric acid 4H-1,2,3-benzotriazin-3-yl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)ON1CC2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)[C@@H](C(=O)ON1CC2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H26N4O4/c1-17(2)25(26(32)35-31-15-18-9-3-8-14-24(18)29-30-31)28-27(33)34-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h3-14,17,23,25H,15-16H2,1-2H3,(H,28,33)/t25-/m0/s1