Products for Research Use Only
RegisterLogin

[D-Pro2, D-Trp7,9]-Substance P

CAT: 0926-PSP-4113-VSize: 0.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-PSP-4113-VSize:0.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
80434-86-2
Synonyms
Arg-D-Pro-Lys-Pro-Gln-Gln-D-Trp-Phe-D-Trp-Leu-Met-NH2
Smiles
CC (C) CC (C (=O) NC (CCSC) C (=O) N) NC (=O) C (CC1=CNC2=CC=CC=C21) NC (=O) C (CC3=CC=CC=C3) NC (=O) C (CC4=CNC5=CC=CC=C54) NC (=O) C (CCC (=O) N) NC (=O) C (CCC (=O) N) NC (=O) C6CCCN6C (=O) C (CCCCN) NC (=O) C7CCCN7C (=O) C (CCCN=C (N) N) N
Molecular Formula
C74H106N20O13S
Molecular Weight
1,515.8 g/mol
Controlled
No

Chemical Information

substance P, prolyl(2)-tryptophan(7,9)-

substance P antagonist

CAS Number80434-86-2
PubChem CID25078101
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2R)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular FormulaC74H106N20O13S
Molecular Weight1515.8
XLogP-0.1
Topological Polar Surface Area576
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count44
Heavy Atom Count108
Formal Charge0
Complexity3090
SMILES
CC(C)CC(C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C74H106N20O13S/c1-42(2)36-55(66(100)85-51(63(79)97)30-35-108-3)89-68(102)58(39-45-41-84-50-22-10-8-19-47(45)50)92-67(101)56(37-43-16-5-4-6-17-43)90-69(103)57(38-44-40-83-49-21-9-7-18-46(44)49)91-65(99)52(26-28-61(77)95)86-64(98)53(27-29-62(78)96)87-70(104)60-25-15-34-94(60)73(107)54(23-11-12-31-75)88-71(105)59-24-14-33-93(59)72(106)48(76)20-13-32-82-74(80)81/h4-10,16-19,21-22,40-42,48,51-60,83-84H,11-15,20,23-39,75-76H2,1-3H3,(H2,77,95)(H2,78,96)(H2,79,97)(H,85,100)(H,86,98)(H,87,104)(H,88,105)(H,89,102)(H,90,103)(H,91,99)(H,92,101)(H4,80,81,82)/t48-,51-,52?,53-,54-,55?,56-,57+,58+,59+,60-/m0/s1
InChIKey
ARZXOJGZBACSSO-OLMCGDJQSA-N
Chemical Structure
2D Structure
2D structure of substance P, prolyl(2)-tryptophan(7,9)-
CAS: 80434-86-2
CID: 25078101
Formula: C74H106N20O13S
MW: 1515.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1515.8
XLogP3-0.1
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count44
Exact Mass1514.79689469
Monoisotopic Mass1514.79689469
Topological Polar Surface Area576 Ų
Heavy Atom Count108
Formal Charge0
Complexity3090
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PSP-4172[D-Arg1, D-Pro2, D-Trp7,9, Leu11]-Substance P
FA108556-01(D-Arg1, D-Pro2, D-Trp7·9, Leu11) -Substance P
PSP-4172-V[D-Arg1, D-Pro2, D-Trp7,9, Leu11]-Substance P
PDA43038-01[D-Trp7,9,10]-Substance P
FA108555-01(D-Arg1, D-Trp7·9, Leu11) -Substance P
PSP-4173-V[D-Arg1, D-Trp7,9, Leu11]-Substance P
PSP-4173[D-Arg1, D-Trp7,9, Leu11]-Substance P
PSP-4114-V[D-Pro4, Trp7,9]-Substance P (4-11)
PSP-4114[D-Pro4, Trp7,9]-Substance P (4-11)
VAC-00653-01[D-Pro2, D-Phe7, D-Trp9]-Substance P

Alternative Products

CatalogName
HY-P3808[D-Pro2, D-Trp7,9] Substance P
H-1920.0005(D-Pro2,D-Trp7·9)-Substance P
MBS8217518-01[D-Pro2, D-Trp7, 9]-Substance P
GTR19068229-01[D-Pro2, D-Trp7,9]-Substance P
MBS659250-01Substance P [D-Pro2, D-Trp7,9]
4113-v[D-Pro2, D-Trp7,9] -Substance P
M40451(D-Pro2, D-Trp7·9) -Substance P
MBS405612-01[D-Pro2,D-Trp7,9]-Substance P
MBS5818331[D-Pro2,D-Trp7,9] Substance P
abx266486-01[D-Pro2, D-Trp7,9]-Substance P Peptide

Popular Products