Products for Research Use Only
RegisterLogin

QL9

CAT: 0926-JGA64683-04Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JGA64683-04Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
159646-83-0
MDL Number
MFCD31544371
Smiles
CC (C) CC (C (=O) NC (CO) C (=O) N1CCCC1C (=O) NC (CC2=CC=CC=C2) C (=O) N3CCCC3C (=O) NC (CC4=CC=CC=C4) C (=O) NC (CC (=O) O) C (=O) NC (CC (C) C) C (=O) O) NC (=O) C (CCC (=O) N) N
Molecular Formula
C52H74N10O14
Molecular Weight
1,063.21 g/mol
Controlled
No

Chemical Information

(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
CAS Number159646-83-0
PubChem CID446911
IUPAC Name(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC52H74N10O14
Molecular Weight1063.2
XLogP-1.7
Topological Polar Surface Area379
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count29
Heavy Atom Count76
Formal Charge0
Complexity2050
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C52H74N10O14/c1-29(2)23-34(55-44(67)33(53)19-20-42(54)64)45(68)60-39(28-63)51(74)62-22-12-18-41(62)49(72)58-37(26-32-15-9-6-10-16-32)50(73)61-21-11-17-40(61)48(71)57-35(25-31-13-7-5-8-14-31)46(69)56-36(27-43(65)66)47(70)59-38(52(75)76)24-30(3)4/h5-10,13-16,29-30,33-41,63H,11-12,17-28,53H2,1-4H3,(H2,54,64)(H,55,67)(H,56,69)(H,57,71)(H,58,72)(H,59,70)(H,60,68)(H,65,66)(H,75,76)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey
LKWGVTVKKKGMDA-JBRKIFEHSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
CAS: 159646-83-0
CID: 446911
Formula: C52H74N10O14
MW: 1063.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1063.2
XLogP3-1.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count29
Exact Mass1062.53859707
Monoisotopic Mass1062.53859707
Topological Polar Surface Area379 Ų
Heavy Atom Count76
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products