98206-10-1 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of Boc-gly-gly-leu-pNA is C21H31N5O7.
The synonyms of Boc-gly-gly-leu-pNA are tert-butyl N-[2-[[2-[[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate and tert-Butyl (S)-(2-((2-((4-methyl-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-2-oxoethyl)carbamate.
The molecular weight of Boc-gly-gly-leu-pNA is 465.5 g/mol.
The IUPAC name of Boc-gly-gly-leu-pNA is tert-butyl N-[2-[[2-[[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.
The InChI of Boc-gly-gly-leu-pNA is InChI=1S/C21H31N5O7/c1-13(2)10-16(19(29)24-14-6-8-15(9-7-14)26(31)32)25-18(28)12-22-17(27)11-23-20(30)33-21(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H,22,27)(H,23,30)(H,24,29)(H,25,28)/t16-/m0/s1.
The InChIKey of Boc-gly-gly-leu-pNA is KKTHNFIJCQMQOR-INIZCTEOSA-N.
The canonical SMILES of Boc-gly-gly-leu-pNA is CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)OC(C)(C)C.
The isomeric SMILES of Boc-gly-gly-leu-pNA is CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)OC(C)(C)C.
The XLogP3-AA value of Boc-gly-gly-leu-pNA is 2.1.
The hydrogen bond donor count of Boc-gly-gly-leu-pNA is 4.