Ac-ala-ala-pro-ala-pna

CAS

96699-74-0

Catalog Number

ACM96699740

Category

Other Products

Molecular Weight

490.51

Molecular Formula

C₂₂H₃₀N₆O₇

MSDS COA Spec Sheet

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Specification

Synonyms

AC-ALA-ALA-PRO-ALA-PNA

What is the molecular formula of AC-ALA-ALA-PRO-ALA-PNA?

The molecular formula of AC-ALA-ALA-PRO-ALA-PNA is C22H30N6O7.

What is the molecular weight of AC-ALA-ALA-PRO-ALA-PNA?

The molecular weight of AC-ALA-ALA-PRO-ALA-PNA is 490.5 g/mol.

What is the IUPAC name of AC-ALA-ALA-PRO-ALA-PNA?

The IUPAC name of AC-ALA-ALA-PRO-ALA-PNA is (2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

What is the InChI of AC-ALA-ALA-PRO-ALA-PNA?

The InChI of AC-ALA-ALA-PRO-ALA-PNA is InChI=1S/C22H30N6O7/c1-12(23-15(4)29)19(30)25-14(3)22(33)27-11-5-6-18(27)21(32)24-13(2)20(31)26-16-7-9-17(10-8-16)28(34)35/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,23,29)(H,24,32)(H,25,30)(H,26,31)/t12-,13-,14-,18-/m0/s1.

What is the InChIKey of AC-ALA-ALA-PRO-ALA-PNA?

The InChIKey of AC-ALA-ALA-PRO-ALA-PNA is LZJMHONERNXSNV-NUXNZHGMSA-N.

What is the canonical SMILES of AC-ALA-ALA-PRO-ALA-PNA?

The canonical SMILES of AC-ALA-ALA-PRO-ALA-PNA is CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C.

How many hydrogen bond donor counts does AC-ALA-ALA-PRO-ALA-PNA have?

AC-ALA-ALA-PRO-ALA-PNA has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does AC-ALA-ALA-PRO-ALA-PNA have?

AC-ALA-ALA-PRO-ALA-PNA has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does AC-ALA-ALA-PRO-ALA-PNA have?

AC-ALA-ALA-PRO-ALA-PNA has 8 rotatable bond counts.

Is AC-ALA-ALA-PRO-ALA-PNA canonicalized?

Yes, AC-ALA-ALA-PRO-ALA-PNA is canonicalized.