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

Systemtic Name: methyl 2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoate Openeye Name: methyl 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoate CAS Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-phenethylimidazol-4-yl)propionic acid methyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)CCC2=CC=CC=C2)NCCC(CO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)CCC2=CC=CC=C2)NCCC(CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N4O5/c1-35-26(33)25(16-24-17-31(20-29-24)15-13-21-8-4-2-5-9-21)28-14-12-23(18-32)30-27(34)36-19-22-10-6-3-7-11-22/h2-11,17,20,23,25,28,32H,12-16,18-19H2,1H3,(H,30,34)