(2,5-dimethylpyrazol-3-yl)methyl-[3-[[(2R)-1-ethanoylpyrrolidin-2-yl]carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium

Systemtic Name: (2,5-dimethylpyrazol-3-yl)methyl-[3-[[(2R)-1-ethanoylpyrrolidin-2-yl]carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium Openeye Name: 3-[[(2R)-1-acetylpyrrolidine-2-carbonyl]-tert-butoxycarbonyl-amino]propyl-[(2,5-dimethylpyrazol-3-yl)methyl]ammonium CAS Name: 3-[[[(2R)-1-acetyl-2-pyrrolidinyl]-oxomethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-[(2,5-dimethyl-3-pyrazolyl)methyl]ammonium IUPAC Name: 3-[[(2R)-1-acetylpyrrolidine-2-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2,5-dimethylpyrazol-3-yl)methyl]azanium Traditional Name: 3-[[(2R)-1-acetylprolyl]-tert-butoxycarbonyl-amino]propyl-[(2,5-dimethylpyrazol-3-yl)methyl]ammonium Formula: C21H36N5O4+ MolecularWeight: 422.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C[NH2+]CCCN(C(=O)C2CCCN2C(=O)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)C[NH2+]CCCN(C(=O)[C@H]2CCCN2C(=O)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H35N5O4/c1-15-13-17(24(6)23-15)14-22-10-8-12-26(20(29)30-21(3,4)5)19(28)18-9-7-11-25(18)16(2)27/h13,18,22H,7-12,14H2,1-6H3/p+1/t18-/m1/s1