3-[[3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]-5-methyl-2-oxidanyl-hexanoic acid

Systemtic Name: 3-[[3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]-5-methyl-2-oxidanyl-hexanoic acid Openeye Name: 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]-5-methyl-hexanoic acid CAS Name: 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopropyl]amino]-5-methylhexanoic acid IUPAC Name: 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]-5-methylhexanoic acid Traditional Name: 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-(p-anisyloxycarbonylamino)propanoyl]amino]-5-methyl-hexanoic acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O7/c1-13(2)8-17(19(27)21(29)30)25-20(28)18(9-15-10-23-12-24-15)26-22(31)33-11-14-4-6-16(32-3)7-5-14/h4-7,10,12-13,17-19,27H,8-9,11H2,1-3H3,(H,23,24)(H,25,28)(H,26,31)(H,29,30)