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Z-Trp (Boc) -OH · DCHA

CAT: 0121-4027713.0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:0121-4027713.0025Size:25 g
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CAS Number
218938-57-9
Specifications
C-3995.0025
Sequence
Z-Trp (Boc) -OH · DCHA
Molecular Formula
C₂₄H₂₆N₂O₆ · C₁₂H₂₃N
Molecular Weight
619.80
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

z-Trp(boc)-oh.dcha
CAS Number218938-57-9
PubChem CID16218811
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular FormulaC36H49N3O6
Molecular Weight619.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity786
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C24H26N2O6.C12H23N/c1-24(2,3)32-23(30)26-14-17(18-11-7-8-12-20(18)26)13-19(21(27)28)25-22(29)31-15-16-9-5-4-6-10-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,14,19H,13,15H2,1-3H3,(H,25,29)(H,27,28);11-13H,1-10H2/t19-;/m0./s1
InChIKey
BUQVAJPBCWSLMH-FYZYNONXSA-N
Chemical Structure
2D Structure
2D structure of z-Trp(boc)-oh.dcha
CAS: 218938-57-9
CID: 16218811
Formula: C36H49N3O6
MW: 619.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight619.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass619.36213629
Monoisotopic Mass619.36213629
Topological Polar Surface Area119 Ų
Heavy Atom Count45
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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