(2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)acetic acid CAS Name: (2S)-2-(1-benzotriazolyl)-2-(phenylmethoxycarbonylamino)acetic acid IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)acetic acid Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(=O)O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](C(=O)O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O4/c21-15(22)14(20-13-9-5-4-8-12(13)18-19-20)17-16(23)24-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,23)(H,21,22)/t14-/m0/s1