methyl (2S)-3-(3-methylimidazol-4-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-methylimidazol-4-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate Openeye Name: methyl (2S)-2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(3-methylimidazol-4-yl)propanoate CAS Name: (2S)-3-(3-methyl-4-imidazolyl)-2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-methylimidazol-4-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate Traditional Name: (2S)-2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(3-methylimidazol-4-yl)propionic acid methyl ester Formula: C16H26N4O5 MolecularWeight: 354.40144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CN=CN1C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1C)C(=O)OC

InChI

InChI=1S/C16H26N4O5/c1-16(2,3)25-15(23)18-7-6-13(21)19-12(14(22)24-5)8-11-9-17-10-20(11)4/h9-10,12H,6-8H2,1-5H3,(H,18,23)(H,19,21)/t12-/m0/s1