methyl 2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate

Systemtic Name: methyl 2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate Openeye Name: methyl 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-propylimidazol-4-yl)propanoate CAS Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-propylimidazol-4-yl)propionic acid methyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(C(=O)OC)NCCC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCN1C=C(N=C1)CC(C(=O)OC)NCCC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N4O5/c1-3-11-26-13-19(24-16-26)12-20(21(28)30-2)23-10-9-18(14-27)25-22(29)31-15-17-7-5-4-6-8-17/h4-8,13,16,18,20,23,27H,3,9-12,14-15H2,1-2H3,(H,25,29)