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Diprotin A TFA 5mg

CAT: 0628-A21475-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21475-5Size:5 mg
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CAS Number
209248-71-5

Chemical Information

Diprotin A (TFA)
CAS Number209248-71-5
PubChem CID137319704
IUPAC Name(2S,3S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC19H32F3N3O6
Molecular Weight455.5
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity552
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H31N3O4.C2HF3O2/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2;3-2(4,5)1(6)7/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24);(H,6,7)/t10-,11-,12-,13-,14-;/m0./s1
InChIKey
KAUYVJOUHGUZNN-BABXMESMSA-N
Chemical Structure
2D Structure
2D structure of Diprotin A (TFA)
CAS: 209248-71-5
CID: 137319704
Formula: C19H32F3N3O6
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass455.22432024
Monoisotopic Mass455.22432024
Topological Polar Surface Area150 Ų
Heavy Atom Count31
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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