3-(1H-imidazol-5-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C18H21N5O6/c24-15(8-21-18(28)29-10-12-4-2-1-3-5-12)20-9-16(25)23-14(17(26)27)6-13-7-19-11-22-13/h1-5,7,11,14H,6,8-10H2,(H,19,22)(H,20,24)(H,21,28)(H,23,25)(H,26,27)