octyl (2R)-3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate

Systemtic Name: octyl (2R)-3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate Openeye Name: octyl (2R)-2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid octyl ester IUPAC Name: octyl (2R)-3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate Traditional Name: (2R)-2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(1H-imidazol-5-yl)propionic acid octyl ester Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)CCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(=O)[C@@H](CC1=CN=CN1)NC(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H36N4O5/c1-2-3-4-5-6-10-15-33-24(31)22(16-21-17-26-19-28-21)29-23(30)13-14-27-25(32)34-18-20-11-8-7-9-12-20/h7-9,11-12,17,19,22H,2-6,10,13-16,18H2,1H3,(H,26,28)(H,27,32)(H,29,30)/t22-/m1/s1