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Bpoc-Gly-OH·DCHA

CAT: 0926-FB107846-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FB107846-01Size:2 g
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CAS Number
18701-38-7
MDL Number
MFCD00037275
Smiles
CC (C) (C1=CC=C (C=C1) C2=CC=CC=C2) OC (=O) NCC (=O) O.C1CCC (CC1) NC2CCCCC2
Molecular Formula
C18H19NO4·C12H23N
Molecular Weight
494.67 g/mol
Controlled
No

Chemical Information

Bpoc-Gly-OH . DCHA
CAS Number18701-38-7
PubChem CID14039210
IUPAC NameN-cyclohexylcyclohexanamine;2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]acetic acid
Molecular FormulaC30H42N2O4
Molecular Weight494.7
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity523
SMILES
CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)NCC(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C18H19NO4.C12H23N/c1-18(2,23-17(22)19-12-16(20)21)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-11H,12H2,1-2H3,(H,19,22)(H,20,21);11-13H,1-10H2
InChIKey
FQHMVPWYSUCUMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bpoc-Gly-OH . DCHA
CAS: 18701-38-7
CID: 14039210
Formula: C30H42N2O4
MW: 494.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass494.31445783
Monoisotopic Mass494.31445783
Topological Polar Surface Area87.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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E-1645.0001Bpoc-Met-OH · DCHA
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sc-293781Boc-Gly (cyclopentyl) -OH DCHA
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