| CAS Number | 68060-49-1 |
| Catalog Number | AG00ILPK(AGN-PC-04TJ9B) |
| Chemical Name | Substance P Fragment 1-7 |
| IUPAC Name | 2-[[5-amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C41H65N13O10/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/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) |
| InChI Key | KPHDBQWTCKBKIL-UHFFFAOYSA-N |
| MDL Number | MFCD00076789 |
| Molecular Formula | C41H65N13O10 |
| Molecular Weight | 900.0359 |
| SMILES | O=C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O)CCC(N)=O)=O)CCC(N)=O)[C@@H]2CCCN2C([C@@H](NC([C@@H]3CCCN3C([C@H](CCCNC(N)=N)N)=O)=O)CCCCN)=O |
| Synonyms | Substance P Fragment 1-7,
Arg-Pro-Lys-Pro-Gln-Gln-Phe,
68060-49-1,
H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-OH,
AC1MOFI3,
DTXSID30391872,
Substance P Fragment 1-7, >=97% (HPLC),
2-[[5-amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid,
CID3368303,
CID 3368303,
|
| Complexity | 1670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 899.498g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 64 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 11 |
| Isotope Atom Count | 0 |
| Molecular Weight | 900.052g/mol |
| Monoisotopic Mass | 899.498g/mol |
| Rotatable Bond Count | 27 |
| Topological Polar Surface Area | 397A^2 |
| Undefined Atom Stereocenter Count | 7 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number