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Z-HomoArg-OH

CAT: 0607-A6696-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6696-25000Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1313054-55-5
Product Name Alternative
(S,E)-2-(((benzyloxy)(hydroxy)methylene)amino)-6-guanidinohexanoic acid
Purity
0.98
Smiles
N=C(NCCCC[C@@](/N=C(OCC1=CC=CC=C1)\O)([H])C(O)=O)N
Molecular Formula
C15H22N4O4
Molecular Weight
322.36
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(S)-2-(((Benzyloxy)carbonyl)amino)-6-guanidinohexanoic acid
CAS Number1313054-55-5
PubChem CID39058173
IUPAC Name(2S)-6-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC15H22N4O4
Molecular Weight322.36
XLogP0.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity404
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN=C(N)N)C(=O)O
InChI
InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1
InChIKey
KTPKIMJAZDFELN-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(((Benzyloxy)carbonyl)amino)-6-guanidinohexanoic acid
CAS: 1313054-55-5
CID: 39058173
Formula: C15H22N4O4
MW: 322.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.36
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass322.16410520
Monoisotopic Mass322.16410520
Topological Polar Surface Area140 Ų
Heavy Atom Count23
Formal Charge0
Complexity404
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

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