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H-Ala-Ala-bNA

CAT: 0926-FA110644-01Size: 0.1 gDry Ice: NoHazardous: No
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CAS Number
20724-07-6
MDL Number
MFCD00151974
Smiles
C[C@@H] (C (=O) N[C@@H] (C) C (=O) NC1=CC2=CC=CC=C2C=C1) N
Molecular Formula
C16H19N3O2
Molecular Weight
285.34 g/mol
Controlled
No

Chemical Information

L-alanyl-L-alanine 2-naphthylamide

L-alanyl-L-alanine 2-naphthylamide is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-alanine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a dipeptide and a N-(2-naphthyl)carboxamide.

CAS Number20724-07-6
PubChem CID7015845
IUPAC Name(2S)-2-amino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]propanamide
Molecular FormulaC16H19N3O2
Molecular Weight285.34
XLogP1.6
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity386
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C16H19N3O2/c1-10(17)15(20)18-11(2)16(21)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,17H2,1-2H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1
InChIKey
XDWBXMVFTBENCK-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of L-alanyl-L-alanine 2-naphthylamide
CAS: 20724-07-6
CID: 7015845
Formula: C16H19N3O2
MW: 285.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight285.34
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass285.147726857
Monoisotopic Mass285.147726857
Topological Polar Surface Area84.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes