9003-56-3 Purity
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Specification
The molecular formula of Boc-Ala-Ala-Gly-pNA is C19H27N5O7.
The synonyms for Boc-Ala-Ala-Gly-pNA include 90037-94-8, Boc-AAG-pNA, tert-butyl N-[(2S)-1-[[(2S)-1-[[2-(4-nitroanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate, and HY-P4455.
The molecular weight of Boc-Ala-Ala-Gly-pNA is 437.4 g/mol.
The IUPAC name of Boc-Ala-Ala-Gly-pNA is tert-butyl N-[(2S)-1-[[(2S)-1-[[2-(4-nitroanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
The InChI of Boc-Ala-Ala-Gly-pNA is InChI=1S/C19H27N5O7/c1-11(21-17(27)12(2)22-18(28)31-19(3,4)5)16(26)20-10-15(25)23-13-6-8-14(9-7-13)24(29)30/h6-9,11-12H,10H2,1-5H3,(H,20,26)(H,21,27)(H,22,28)(H,23,25)/t11-,12-/m0/s1.
The InChIKey of Boc-Ala-Ala-Gly-pNA is YODBYCPAGJDVOM-RYUDHWBXSA-N.
The canonical SMILES of Boc-Ala-Ala-Gly-pNA is CC(C(=O)NCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NC(=O)OC(C)(C)C.
The isomeric SMILES of Boc-Ala-Ala-Gly-pNA is C[C@@H](C(=O)NCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C)NC(=O)OC(C)(C)C.
The XLogP3-AA value of Boc-Ala-Ala-Gly-pNA is 1.2.
There are 9 rotatable bond counts in Boc-Ala-Ala-Gly-pNA.