TT15

CAT: 0931-T71297-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71297-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1187061-63-7

Target

Others

Related Pathways

Others

Bioactivity

TT15 is an agonist of the GLP-1R.

Smiles

C(N[C@@H](CC1=CC=C(C=C1)C2=CC=C(C#N)C=C2)C(O)=O)(=O)[C@@H]3CC=4C(CN3[C@@H](CC)C5=CC=CC=C5)=CC6=C(C4)N(C)C(=O)[C@@H](O6)C7=CC=C(OCC8=CC(Cl)=C(Cl)C=C8)C=C7

Molecular Formula

C51H44Cl2N4O6

Molecular Weight

879.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2S)-3-[4-(4-cyanophenyl)phenyl]-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-7-[(1S)-1-phenylpropyl]-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]propanoic acid

CAS Number	1187061-63-7
PubChem CID	50938554
IUPAC Name	(2S)-3-[4-(4-cyanophenyl)phenyl]-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-7-[(1S)-1-phenylpropyl]-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]propanoic acid
Molecular Formula	C51H44Cl2N4O6
Molecular Weight	879.8
XLogP	7.8
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	63
Formal Charge	0
Complexity	1580

SMILES

CC[C@@H](C1=CC=CC=C1)N2CC3=CC4=C(C=C3C[C@H]2C(=O)N[C@@H](CC5=CC=C(C=C5)C6=CC=C(C=C6)C#N)C(=O)O)N(C(=O)[C@@H](O4)C7=CC=C(C=C7)OCC8=CC(=C(C=C8)Cl)Cl)C

InChI

InChI=1S/C51H44Cl2N4O6/c1-3-44(36-7-5-4-6-8-36)57-29-39-27-47-45(56(2)50(59)48(63-47)37-18-20-40(21-19-37)62-30-33-13-22-41(52)42(53)23-33)25-38(39)26-46(57)49(58)55-43(51(60)61)24-31-9-14-34(15-10-31)35-16-11-32(28-54)12-17-35/h4-23,25,27,43-44,46,48H,3,24,26,29-30H2,1-2H3,(H,55,58)(H,60,61)/t43-,44-,46-,48-/m0/s1

InChIKey

ZXJQFMYVTDGFTB-OCCUAKHKSA-N

Chemical Structure

2D Structure

CAS: 1187061-63-7

CID: 50938554

Formula: C51H44Cl2N4O6

MW: 879.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	879.8
XLogP3	7.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	878.2637905
Monoisotopic Mass	878.2637905
Topological Polar Surface Area	132 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1580
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
GTR19208085-01	TT15
HY-129652-01	HaloAUTAC tt15

TT15

Chemical Information

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