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Ser-Ala-alloresact

CAT: 0931-T76373-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76373-01Size:5 mg
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CAS Number
140653-27-6
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Bioactivity
Ser-Ala-alloresact, a sperm activating peptide (SAP), plays a pivotal role in the fertilization process through its release from the eggs of marine invertebrates, facilitating sperm activation [1] [2].
Smiles
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)C2CCCN2C1=O)C(=O)N[C@@H](C(C)C)C(O)=O
Molecular Formula
C42H71N13O14S2
Molecular Weight
1046.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 102601992
CAS Number140653-27-6
PubChem CID102601992
IUPAC Name(2S)-2-[[(3R,8R,11S,20S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-11-(2-amino-2-oxoethyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosane-8-carbonyl]amino]-3-methylbutanoic acid
Molecular FormulaC42H71N13O14S2
Molecular Weight1046.2
XLogP-6.8
Topological Polar Surface Area485
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count21
Heavy Atom Count71
Formal Charge0
Complexity1930
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C1=O)CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C42H71N13O14S2/c1-20(2)13-25(51-36(62)24(9-6-7-11-43)50-34(60)22(5)48-35(61)23(44)17-56)37(63)53-28-19-71-70-18-27(39(65)54-33(21(3)4)42(68)69)52-38(64)26(14-30(45)57)49-32(59)16-46-31(58)15-47-40(66)29-10-8-12-55(29)41(28)67/h20-29,33,56H,6-19,43-44H2,1-5H3,(H2,45,57)(H,46,58)(H,47,66)(H,48,61)(H,49,59)(H,50,60)(H,51,62)(H,52,64)(H,53,63)(H,54,65)(H,68,69)/t22-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1
InChIKey
CSUVIBOHPJFWDA-CSJBYALQSA-N
Chemical Structure
2D Structure
2D structure of CID 102601992
CAS: 140653-27-6
CID: 102601992
Formula: C42H71N13O14S2
MW: 1046.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1046.2
XLogP3-6.8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count21
Exact Mass1045.46848634
Monoisotopic Mass1045.46848634
Topological Polar Surface Area485 Ų
Heavy Atom Count71
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5818296Ser-Ala-alloresact
GTR19213622-01Ser-Ala-alloresact acetate
S0096-01ASAP-IIB, Ser-Ala (Ser-Ala-Alloresact)
HY-P4244-01Ala-Ser
G-1670.0005Cyclo(-Ala-Ser)
241954-01Ser-Ala-OH
GTR19062941-01Ser-Ala-Pro
260676-01Ala-Ser-OH
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