methyl 3-(1H-imidazol-5-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H23N5O6/c1-29-18(27)15(7-14-8-20-12-23-14)24-17(26)10-21-16(25)9-22-19(28)30-11-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,20,23)(H,21,25)(H,22,28)(H,24,26)