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Ac-Lys (Z) -OH

CAT: 0127-OR1007636-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1007636-01Size:5 g
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CAS Number
6367-08-4
Purity
98%
Smiles
CC(N[C@H](C(O)=O)CCCCNC(OCC1=CC=CC=C1)=O)=O

Chemical Information

Ac-Lys(Z)-OH
CAS Number6367-08-4
PubChem CID460415
IUPAC Name(2S)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC16H22N2O5
Molecular Weight322.36
XLogP1.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity394
SMILES
CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
InChIKey
JYUVJQBGBKAJMS-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Ac-Lys(Z)-OH
CAS: 6367-08-4
CID: 460415
Formula: C16H22N2O5
MW: 322.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.36
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass322.15287181
Monoisotopic Mass322.15287181
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity394
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