Products for Research Use Only
RegisterLogin

UFP 803

CAT: 0607-B5311-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B5311-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Urotensin-II (UT) receptor ligand
CAS Number
879497-82-2
Product Name Alternative
(S,Z)-4-(((4R,5Z,7S,8Z,10S,11Z,13R,14Z,16S,17Z,19R)-13-((1H-indol-3-yl)methyl)-10-(2-aminoethyl)-16-benzyl-4-((Z)-(((S)-1-carboxy-2-methylpropyl)imino)(hydroxy)methyl)-6,9,12,15,18-pentahydroxy-7-(4-hydroxybenzyl)-20,20-dimethyl-1,2-dithia-5,8,11,14,17-pe
Field of Research
GPCR G protein Urotensin-II Receptor
Form
White lyophilised solid
Solubility
Soluble in H2O
Smiles
CC([C@@](/N=C(O)/[C@]1([H])CSSC(C)([C@@](/N=C(O)/[C@](N)([H])CC(O)=O)([H])/C(O)=N/[C@@](/C(O)=N/[C@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/1)([H])CC2=CC=C(O)C=C2)([H])CCN)([H])CC3=CNC4=CC=CC=C34)([H])CC5=CC=CC=C5)C)([H])C(O)=O)C
Molecular Formula
C50H64N10O12S2
Molecular Weight
1061.24
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

CID 90488769
CAS Number879497-82-2
PubChem CID90488769
IUPAC Name(2S)-2-[[(4R,7S,13R,16S)-19-[[(2S)-2-amino-3-carboxypropanoyl]amino]-10-(2-aminoethyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular FormulaC50H64N10O12S2
Molecular Weight1061.2
XLogP-3
Topological Polar Surface Area417
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Heavy Atom Count74
Formal Charge0
Complexity1970
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CSSC(C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)O)N)(C)C
InChI
InChI=1S/C50H64N10O12S2/c1-26(2)40(49(71)72)59-47(69)38-25-73-74-50(3,4)41(60-42(64)32(52)23-39(62)63)48(70)57-36(20-27-10-6-5-7-11-27)44(66)56-37(22-29-24-53-33-13-9-8-12-31(29)33)46(68)54-34(18-19-51)43(65)55-35(45(67)58-38)21-28-14-16-30(61)17-15-28/h5-17,24,26,32,34-38,40-41,53,61H,18-23,25,51-52H2,1-4H3,(H,54,68)(H,55,65)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,60,64)(H,62,63)(H,71,72)/t32-,34?,35-,36-,37+,38-,40-,41?/m0/s1
InChIKey
LRELVPJTCGYTSS-AAEZYUNISA-N
Chemical Structure
2D Structure
2D structure of CID 90488769
CAS: 879497-82-2
CID: 90488769
Formula: C50H64N10O12S2
MW: 1061.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1061.2
XLogP3-3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Exact Mass1060.41465986
Monoisotopic Mass1060.41465986
Topological Polar Surface Area417 Ų
Heavy Atom Count74
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
B5128-1UFP-101
BA8331-25IPR-803
BA8331-10IPR-803
BA8331-5IPR-803
BA8331-5.1IPR-803
BA8331-1IPR-803
B6904-10L-803,087 trifluoroacetate
A3624-50MK-8033
A3624-2MK-8033
A3624-10MK-8033

Alternative Products

CatalogName
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
TBS10338-0.5MGInVivo Anti-Mouse CD161/KLRB1/NK1.1 Antibody
TBS10336-1MGInVivoMAb Anti-Human Flt3 ligand/FLT3LG Antibody
TBS10334-0.5MGInVivo Anti-Human CDH17/Cadherin-17 Monoclonal Antibody
TBS10333-1MGInVivo Anti-Phosphotyrosine Monoclonal Antibody
TBS42064-100Clostridium butyricum qPCR Detection Kit
TBI5887-25MGRo 5-3335, RUNX1 inhibitor
TBI5778-5MGSBI-797812, NAMPT activator
TBI5468-25MGPyrintegrin, ß1-integrin agonist

Popular Products