sodium 2-(benzotriazol-1-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoate

Systemtic Name: sodium 2-(benzotriazol-1-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoate Openeye Name: sodium 2-(benzotriazol-1-yl)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetate CAS Name: sodium 2-(1-benzotriazolyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate IUPAC Name: sodium 2-(benzotriazol-1-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate Traditional Name: sodium 2-(benzotriazol-1-yl)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetate Formula: C18H16N5NaO5 MolecularWeight: 405.33991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(C(=O)[O-])N2C3=CC=CC=C3N=N2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(C(=O)[O-])N2C3=CC=CC=C3N=N2.[Na+]

InChI

InChI=1S/C18H17N5O5.Na/c24-15(10-19-18(27)28-11-12-6-2-1-3-7-12)20-16(17(25)26)23-14-9-5-4-8-13(14)21-22-23;/h1-9,16H,10-11H2,(H,19,27)(H,20,24)(H,25,26);/q;+1/p-1