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VH 032 amide-alkylC2-acid

CAT: 0498-bs-7162C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7162C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2172819-72-4
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC1N=CSC=1C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(O)=O)C(C)(C)C)C=C1
Molecular Formula
C26 H34 N4 O6 S
Molecular Weight
530.64
InChI
InChI=1S/C26H34N4O6S/c1-15-22 (37-14-28-15) 17-7-5-16 (6-8-17) 12-27-24 (35) 19-11-18 (31) 13-30 (19) 25 (36) 23 (26 (2,3) 4) 29-20 (32) 9-10-21 (33) 34/h5-8,14,18-19,23,31H,9-13H2,1-4H3, (H,27,35) (H,29,32) (H,33,34) /t18-,19+,23-/m1/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

VH 032 amide-alkylC2-acid
CAS Number2172819-72-4
PubChem CID134183822
IUPAC Name4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC26H34N4O6S
Molecular Weight530.6
XLogP1.7
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity841
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCC(=O)O)O
InChI
InChI=1S/C26H34N4O6S/c1-15-22(37-14-28-15)17-7-5-16(6-8-17)12-27-24(35)19-11-18(31)13-30(19)25(36)23(26(2,3)4)29-20(32)9-10-21(33)34/h5-8,14,18-19,23,31H,9-13H2,1-4H3,(H,27,35)(H,29,32)(H,33,34)/t18-,19+,23-/m1/s1
InChIKey
MIVGLJJVHAUZOZ-SELNLUPBSA-N
Chemical Structure
2D Structure
2D structure of VH 032 amide-alkylC2-acid
CAS: 2172819-72-4
CID: 134183822
Formula: C26H34N4O6S
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass530.21990599
Monoisotopic Mass530.21990599
Topological Polar Surface Area177 Ų
Heavy Atom Count37
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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