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Substance P (1-7) TFA 5mg

CAT: 0628-A22875-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22875-5Size:5 mg
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CAS Number
2828433-22-1

Chemical Information

Substance P(1-7) TFA
CAS Number2828433-22-1
PubChem CID134694976
IUPAC Name(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC43H66F3N13O12
Molecular Weight1014.1
Topological Polar Surface Area434
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Heavy Atom Count71
Formal Charge0
Complexity1760
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C41H65N13O10.C2HF3O2/c42-19-5-4-12-28(51-37(60)30-13-7-21-53(30)38(61)25(43)11-6-20-48-41(46)47)39(62)54-22-8-14-31(54)36(59)50-27(16-18-33(45)56)34(57)49-26(15-17-32(44)55)35(58)52-29(40(63)64)23-24-9-2-1-3-10-24;3-2(4,5)1(6)7/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,55)(H2,45,56)(H,49,57)(H,50,59)(H,51,60)(H,52,58)(H,63,64)(H4,46,47,48);(H,6,7)/t25-,26-,27-,28-,29-,30-,31-;/m0./s1
InChIKey
NGJNGAVSGJSPNQ-OSSAIMHMSA-N
Chemical Structure
2D Structure
2D structure of Substance P(1-7) TFA
CAS: 2828433-22-1
CID: 134694976
Formula: C43H66F3N13O12
MW: 1014.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1014.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Exact Mass1013.49059908
Monoisotopic Mass1013.49059908
Topological Polar Surface Area434 Ų
Heavy Atom Count71
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
4019809.0025Substance P (1-7)
MBS5758305Substance P 1-7
GTR18897790-01Substance P (1-7) peptide
M29733Substance P (1-7) (TFA)
T75963-01Substance P (1-7) TFA
M21009-01Substance P (1-7) 2TFA

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