3-[1-(3-methylbutyl)imidazol-4-yl]-2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]propanoate

Systemtic Name: 3-[1-(3-methylbutyl)imidazol-4-yl]-2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]propanoate Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-isopentylimidazol-4-yl)propanoate CAS Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-[1-(3-methylbutyl)-4-imidazolyl]propanoate IUPAC Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-[1-(3-methylbutyl)imidazol-4-yl]propanoate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-isoamylimidazol-4-yl)propionate Formula: C23H33N4O5- MolecularWeight: 445.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(N=C1)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C=C(N=C1)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H34N4O5/c1-17(2)9-11-27-13-20(25-16-27)12-21(22(29)30)24-10-8-19(14-28)26-23(31)32-15-18-6-4-3-5-7-18/h3-7,13,16-17,19,21,24,28H,8-12,14-15H2,1-2H3,(H,26,31)(H,29,30)/p-1