91648-56-5 Purity
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The molecular formula of N-Benzyloxycarbonylvalylprolinal is C18H24N2O4.
N-Benzyloxycarbonylvalylprolinal was created in PubChem on August 8, 2005.
The molecular weight of N-Benzyloxycarbonylvalylprolinal is 332.4 g/mol.
The IUPAC name of N-Benzyloxycarbonylvalylprolinal is benzyl N-[(2S)-1-(2-formylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate.
The InChI of N-Benzyloxycarbonylvalylprolinal is InChI=1S/C18H24N2O4/c1-13(2)16(17(22)20-10-6-9-15(20)11-21)19-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15-16H,6,9-10,12H2,1-2H3,(H,19,23)/t15?,16-/m0/s1.
The InChIKey of N-Benzyloxycarbonylvalylprolinal is QRONLDFFPZYHDZ-LYKKTTPLSA-N.
The Canonical SMILES of N-Benzyloxycarbonylvalylprolinal is CC(C)C(C(=O)N1CCCC1C=O)NC(=O)OCC2=CC=CC=C2.
There is 1 hydrogen bond donor count in N-Benzyloxycarbonylvalylprolinal.
There are 7 rotatable bond counts in N-Benzyloxycarbonylvalylprolinal.
Yes, N-Benzyloxycarbonylvalylprolinal is a canonicalized compound in PubChem.