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Boc-Lys (Ac) -AMC

CAT: 0127-BUP06455-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06455-01Size:5 mg
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CAS Number
233691-67-3
Synonyms
Boc-L-Lys (Ac) -AMC
Purity
=98%
Smiles
CC=1C=2C(=CC(NC([C@@H](NC(OC(C)(C)C)=O)CCCCNC(C)=O)=O)=CC2)OC(=O)C1

Chemical Information

Boc-Lys(Ac)-AMC
CAS Number233691-67-3
PubChem CID9846360
IUPAC Nametert-butyl N-[(2S)-6-acetamido-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]carbamate
Molecular FormulaC23H31N3O6
Molecular Weight445.5
XLogP2.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity743
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H31N3O6/c1-14-12-20(28)31-19-13-16(9-10-17(14)19)25-21(29)18(8-6-7-11-24-15(2)27)26-22(30)32-23(3,4)5/h9-10,12-13,18H,6-8,11H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
InChIKey
SUTRDULVNIPNLW-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Boc-Lys(Ac)-AMC
CAS: 233691-67-3
CID: 9846360
Formula: C23H31N3O6
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass445.22128572
Monoisotopic Mass445.22128572
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes