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

Systemtic Name: 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]propanoate Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propanoate CAS Name: 3-[1-(2-cyclohexylethyl)-4-imidazolyl]-2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]propanoate IUPAC Name: 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]propanoate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propionate Formula: C26H37N4O5- MolecularWeight: 485.59578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2C=C(N=C2)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCN2C=C(N=C2)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H38N4O5/c31-17-22(29-26(34)35-18-21-9-5-2-6-10-21)11-13-27-24(25(32)33)15-23-16-30(19-28-23)14-12-20-7-3-1-4-8-20/h2,5-6,9-10,16,19-20,22,24,27,31H,1,3-4,7-8,11-15,17-18H2,(H,29,34)(H,32,33)/p-1