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EG01377

CAT: 0013-GTR19205975-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205975-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EG01377
CAS Number
2227996-00-9
Field of Research
Immunology & Inflammation
Smiles
S (NC1=C (C (N[C@@H] (CCCNC (=N) N) C (O) =O) =O) SC=C1) (=O) (=O) C2=C3C (=CC (=C2) C4=CC=C (CN) C=C4) CCO3
Molecular Formula
C26H30N6O6S2
Molecular Weight
586.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3-((5-(4-(aminomethyl)phenyl)-2,3-dihydrobenzofuran)-7-sulfonamido)thiophene-2-carbonyl)-L-arginine
CAS Number2227996-00-9
PubChem CID133081972
IUPAC Name(2S)-2-[[3-[[5-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]sulfonylamino]thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC26H30N6O6S2
Molecular Weight586.7
XLogP-0.7
Topological Polar Surface Area249
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity1010
SMILES
C1COC2=C1C=C(C=C2S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C4=CC=C(C=C4)CN
InChI
InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
InChIKey
SEXUXSMBJLNXIR-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (3-((5-(4-(aminomethyl)phenyl)-2,3-dihydrobenzofuran)-7-sulfonamido)thiophene-2-carbonyl)-L-arginine
CAS: 2227996-00-9
CID: 133081972
Formula: C26H30N6O6S2
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.7
XLogP3-0.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass586.16682505
Monoisotopic Mass586.16682505
Topological Polar Surface Area249 Ų
Heavy Atom Count40
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5766567EG01377
MBS5814721EG01377 dihydrochloride
BUP12834-01EG01377 2HCl
HY-112151A-01EG01377 (dihydrochloride)
MBS3842152-01EG01377 TFA
A17177-50EG01377 TFA 50mg
A24483-10EG01377 dihydrochloride 10mg
A24483-5EG01377 dihydrochloride 5mg
A24483-1EG01377 dihydrochloride 1mg
A17177-5EG01377 TFA 5mg

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