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RC 121

CAT: 0931-T34272Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34272Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99660-13-6
Target
Others
Related Pathways
Others
Bioactivity
RC 121 is a highly potent somatostatin (SRIF) analog.
Smiles
CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 |@:1|
Molecular Formula
C50H67N11O10S2
Molecular Weight
1046.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RC 121

RN given refers to (D-Trp)-isomer

CAS Number99660-13-6
PubChem CID127388
IUPAC Name10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular FormulaC50H67N11O10S2
Molecular Weight1046.3
XLogP1.2
Topological Polar Surface Area406
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count73
Formal Charge0
Complexity1860
SMILES
CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(C(C)O)C(=O)N
InChI
InChI=1S/C50H67N11O10S2/c1-27(2)41-50(71)59-40(49(70)61-42(28(3)62)43(53)64)26-73-72-25-39(58-44(65)34(52)21-29-11-5-4-6-12-29)48(69)56-37(22-30-16-18-32(63)19-17-30)46(67)57-38(23-31-24-54-35-14-8-7-13-33(31)35)47(68)55-36(45(66)60-41)15-9-10-20-51/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-63H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,64)(H,55,68)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,60,66)(H,61,70)
InChIKey
MIUXMABDESTPBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RC 121
CAS: 99660-13-6
CID: 127388
Formula: C50H67N11O10S2
MW: 1046.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1046.3
XLogP31.2
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass1045.45137972
Monoisotopic Mass1045.45137972
Topological Polar Surface Area406 Ų
Heavy Atom Count73
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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