Products for Research Use Only

Substance P (1-7) TFA 5mg

CAT: 0628-A22875-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A22875-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
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...
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