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BM213

CAT: 0931-T35399-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T35399-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2891606-02-1
Target
Others, Complement System
Related Pathways
Others, Immunology/Inflammation
Bioactivity
BM213 is a useful organic compound for research related to life sciences and the catalog number is T35399.
Smiles
C([C@@H](NC([C@H](CC1=CC=CC=C1)NC(C)=O)=O)CCCCN)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)C)=O)C)=O)C)=O)CC(C)C)=O)CCC2
Molecular Formula
C43H70N12O10
Molecular Weight
915.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ac-Phe-Lys-Pro-Leu-Ala-Ala-D-Ala-Arg-OH
CAS Number2891606-02-1
PubChem CID162679298
IUPAC Name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC43H70N12O10
Molecular Weight915.1
XLogP-4.2
Topological Polar Surface Area352
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Heavy Atom Count65
Formal Charge0
Complexity1670
SMILES
C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C43H70N12O10/c1-24(2)22-32(38(60)50-26(4)36(58)48-25(3)35(57)49-27(5)37(59)53-31(42(64)65)17-12-20-47-43(45)46)54-40(62)34-18-13-21-55(34)41(63)30(16-10-11-19-44)52-39(61)33(51-28(6)56)23-29-14-8-7-9-15-29/h7-9,14-15,24-27,30-34H,10-13,16-23,44H2,1-6H3,(H,48,58)(H,49,57)(H,50,60)(H,51,56)(H,52,61)(H,53,59)(H,54,62)(H,64,65)(H4,45,46,47)/t25-,26-,27+,30-,31-,32-,33-,34-/m0/s1
InChIKey
QDSKFYCCEHFZAH-XVSJJFNZSA-N
Chemical Structure
2D Structure
2D structure of Ac-Phe-Lys-Pro-Leu-Ala-Ala-D-Ala-Arg-OH
CAS: 2891606-02-1
CID: 162679298
Formula: C43H70N12O10
MW: 915.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight915.1
XLogP3-4.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Exact Mass914.53378648
Monoisotopic Mass914.53378648
Topological Polar Surface Area352 Ų
Heavy Atom Count65
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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