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D-Ala-Lys-AMCA 10mg

CAT: 0628-A19387-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19387-10Size:10 mg
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CAS Number
375822-19-8

Chemical Information

D-Ala-Lys-AMCA
CAS Number375822-19-8
PubChem CID101147902
IUPAC Name(2S)-6-[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-[[(2R)-2-aminopropanoyl]amino]hexanoic acid
Molecular FormulaC21H28N4O6
Molecular Weight432.5
XLogP-2.4
Topological Polar Surface Area174
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity737
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](C)N
InChI
InChI=1S/C21H28N4O6/c1-11-14-7-6-13(23)9-17(14)31-21(30)15(11)10-18(26)24-8-4-3-5-16(20(28)29)25-19(27)12(2)22/h6-7,9,12,16H,3-5,8,10,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t12-,16+/m1/s1
InChIKey
JBMWHNASOBPJQQ-WBMJQRKESA-N
Chemical Structure
2D Structure
2D structure of D-Ala-Lys-AMCA
CAS: 375822-19-8
CID: 101147902
Formula: C21H28N4O6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass432.20088463
Monoisotopic Mass432.20088463
Topological Polar Surface Area174 Ų
Heavy Atom Count31
Formal Charge0
Complexity737
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

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