[3-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)phenyl] (2S)-2-azanylpropanoate

Systemtic Name: [3-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)phenyl] (2S)-2-azanylpropanoate Openeye Name: [3-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)phenyl] (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid [3-(1-benzotriazolyl)-2-(phenylmethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)phenyl] (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid [3-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)phenyl] ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC(=C1NC(=O)OCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N

Isomeric SMILES

C[C@@H](C(=O)OC1=CC=CC(=C1NC(=O)OCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C23H21N5O4/c1-15(24)22(29)32-20-13-7-12-19(28-18-11-6-5-10-17(18)26-27-28)21(20)25-23(30)31-14-16-8-3-2-4-9-16/h2-13,15H,14,24H2,1H3,(H,25,30)/t15-/m0/s1