Igercine

CAT: 0931-T32139-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T32139-01Size:100 mg

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CAS Number

92891-56-0

Target

Others

Related Pathways

Others

Bioactivity

Igercine is the C-terminal nonapeptide in immunoglobulin E.

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)C)=O)C(C)C)=O)CO)=O)C(C)C)=O)CC(N)=O)(=O)N1[C@H](C(NCC(N[C@@H](CCCCN)C(O)=O)=O)=O)CCC1

Molecular Formula

C39H70N14O12

Molecular Weight

927.06

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Igercine

C-terminal nonapeptide of immunoglobulin E

CAS Number	92891-56-0
PubChem CID	146386
IUPAC Name	(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoic acid
Molecular Formula	C39H70N14O12
Molecular Weight	927.1
XLogP	-7.2
Topological Polar Surface Area	441
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	29
Heavy Atom Count	65
Formal Charge	0
Complexity	1710

SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C39H70N14O12/c1-19(2)29(51-31(57)21(5)47-32(58)22(41)10-8-14-45-39(43)44)36(62)50-25(18-54)33(59)52-30(20(3)4)35(61)49-24(16-27(42)55)37(63)53-15-9-12-26(53)34(60)46-17-28(56)48-23(38(64)65)11-6-7-13-40/h19-26,29-30,54H,6-18,40-41H2,1-5H3,(H2,42,55)(H,46,60)(H,47,58)(H,48,56)(H,49,61)(H,50,62)(H,51,57)(H,52,59)(H,64,65)(H4,43,44,45)/t21-,22-,23-,24-,25-,26-,29-,30-/m0/s1

InChIKey

FLRLYDYDLREVOO-QBUMULATSA-N

Chemical Structure

2D Structure

CAS: 92891-56-0

CID: 146386

Formula: C39H70N14O12

MW: 927.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	927.1
XLogP3	-7.2
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	29
Exact Mass	926.52976372
Monoisotopic Mass	926.52976372
Topological Polar Surface Area	441 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1710
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19223484-01	Igercine

Igercine

Chemical Information

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