Septide, acetyl-arg(6)-
PubChem CID
3082766
Structure
Molecular Formula
Synonyms
- Septide, acetyl-arg(6)-
- A6A-Septide
- Acetyl-6-arg-septide
- 116097-84-8
- Septide, acetyl-arginine(6)-
Molecular Weight
851.1 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2024-12-07
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible
SVG Image
IUPAC Condensed
Ac-Arg-Phe-Phe-Pro-Leu-Met-NH2
Sequence
RFFPLM
PLN
[acetyl]-RFFPLM-[NH2]
HELM
PEPTIDE1{[ac].R.F.F.P.L.M.[am]}$$$$
IUPAC
N-acetyl-L-arginyl-L-phenylalanyl-L-phenylalanyl-L-prolyl-L-leucyl-L-methioninamide
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DPVIJCCNTAWHMH-LBBUGJAGSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C42H62N10O7S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
116097-84-8
- A6A-septide
- Ac-6-Arg-9-Pro-substance P (6-11)
- acetyl-6-Arg-septide
- septide, acetyl-Arg(6)-
- septide, acetyl-arginine(6)-
- substance P (6-11), Ac-Arg(6)-Pro(9)-
- substance P (6-11), acetyl-arginyl(6)-proline(9)-
- Septide, acetyl-arg(6)-
- A6A-Septide
- Acetyl-6-arg-septide
- 116097-84-8
- Septide, acetyl-arginine(6)-
- Substance P (6-11), Ac-arg(6)-pro(9)-
- Ac-6-Arg-9-pro-substance P (6-11)
- Substance P (6-11), acetyl-arginyl(6)-proline(9)-
- DTXSID70151275
- (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- L-Methioninamide, N2-acetyl-L-arginyl-L-phenylalanyl-L-phenelalanyl-L-profyl-L-leucyl-
- DTXCID8073766
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
851.1 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
24
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
850.45236553 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
850.45236553 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
299Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
60
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1470
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
6
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusSeptide, acetyl-arg(6)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0116097848ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSeptide, acetyl-arg(6)-https://comptox.epa.gov/dashboard/DTXSID70151275CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- WikidataSeptide, acetyl-arg(6)-https://www.wikidata.org/wiki/Q83017704
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlseptide, acetyl-Arg(6)-https://www.ncbi.nlm.nih.gov/mesh/67066071
CONTENTS