Products for Research Use Only
RegisterLogin

AtPep3

CAT: 0931-TP1539-02Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TP1539-02Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
902781-14-0
Bioactivity
AtPep3 is a hormone-like peptide that plays a role in the salinity stress tolerance of plants.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)N)=O)[C@H](CC)C)=O)CCCCN)=O)C)=O)CCCNC(=N)N)=O)=O)CCCCN)=O)CC(N)=O)=O)CCCCN)=O)[C@@H](C)O)=O)CCCCN)(=O)N1[C@H](C(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(NCC(N[C@H](C(N[C@@H](CC3=CN=CN3)C(N[C@@H](CC(N)=O)C(O)=O)=O)=O)CCCCN)=O)=O)=O)CCCCN)=O)=O)CO)=O)CO)=O)CCC2)[C@@H](C)O)=O)CCC1
Molecular Formula
C102H178N36O32
Molecular Weight
2420.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AtPep3
CAS Number902781-14-0
PubChem CID154728385
IUPAC Name(3S)-3-[[(2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-hydroxypentyl]amino]-3-methylpentyl]amino]hexyl]amino]propyl]amino]-5-(diaminomethylideneamino)pentyl]amino]ethylamino]hexyl]amino]-4-[[(2S)-6-amino-1-[[(2R,3R)-1-[[(2S)-6-amino-1-[(2S)-2-[[[(2R,3R)-1-[(2S)-2-[[[(2R)-1-[[(2R)-1-amino-3-hydroxypropan-2-yl]amino]-3-hydroxypropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-hydroxybutan-2-yl]amino]methyl]pyrrolidin-1-yl]hexan-2-yl]amino]-3-hydroxybutan-2-yl]amino]hexan-2-yl]amino]butanamide
Molecular FormulaC74H167N25O6
Molecular Weight1503.3
XLogP-6.4
Topological Polar Surface Area528
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count75
Heavy Atom Count105
Formal Charge0
Complexity2030
SMILES
CC[C@H](C)[C@@H](CN[C@@H](CCCCN)CN[C@@H](C)CN[C@@H](CCCN=C(N)N)CNCCN[C@@H](CCCCN)CN[C@@H](CC(=O)N)CN[C@@H](CCCCN)CN[C@H](CN[C@@H](CCCCN)CN1CCC[C@H]1CN[C@H](CN2CCC[C@H]2CN[C@H](CN[C@H](CN)CO)CO)[C@@H](C)O)[C@@H](C)O)NC[C@H](CCCO)N
InChI
InChI=1S/C74H167N25O6/c1-6-55(2)70(95-40-59(80)19-18-36-100)49-93-62(21-8-12-28-76)42-87-56(3)39-88-60(24-15-31-86-74(82)83)41-84-32-33-85-61(20-7-11-27-75)43-90-65(37-73(81)105)45-89-63(22-9-13-29-77)44-96-71(57(4)103)50-94-64(23-10-14-30-78)51-98-34-16-26-69(98)48-97-72(58(5)104)52-99-35-17-25-68(99)47-92-67(54-102)46-91-66(38-79)53-101/h55-72,84-85,87-97,100-104H,6-54,75-80H2,1-5H3,(H2,81,105)(H4,82,83,86)/t55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70+,71+,72+/m0/s1
InChIKey
WHPKIEIWUBJBQV-DSEFJCOBSA-N
Chemical Structure
2D Structure
2D structure of AtPep3
CAS: 902781-14-0
CID: 154728385
Formula: C74H167N25O6
MW: 1503.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1503.3
XLogP3-6.4
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count75
Exact Mass1502.35311815
Monoisotopic Mass1502.35311815
Topological Polar Surface Area528 Ų
Heavy Atom Count105
Formal Charge0
Complexity2030
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TP2704-01AtPep1
TMAB-02942-01Anti-ATP1A3 Antibody (1R794)
TMAB-02946-01Anti-ATP1B3 Antibody (2A32)
TMPH-00964-01ATP5PB Protein, Human, Recombinant (His & Myc)

Alternative Products

CatalogName
HY-P2194AtPep3
M40617AtPep3 TFA
HY-P2194AAtPep3 (TFA)
M30313AtPep3 TFA (902781-14-0 free base)

Popular Products