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Fmoc-B-Ala-Val-OH

CAT: 0572-TRC-F625026-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F625026-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139928-72-6
Synonyms
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-valine
Hazard Statement
No Data Available
Smiles
CC(C)[C@@H](C(O)=O)NC([C@H](C)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)=O
Molecular Formula
C23H26N2O5
Molecular Weight
410.46
InChI
InChI=1S/C23H26N2O5/c1-13(2)20(22(27)28)25-21(26)14(3)24-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)/t14-,20-/m0/s1

Chemical Information

Fmoc-Ala-Val-OH
CAS Number139928-72-6
PubChem CID10960574
IUPAC Name(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC23H26N2O5
Molecular Weight410.5
XLogP3.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity615
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5/c1-13(2)20(22(27)28)25-21(26)14(3)24-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)/t14-,20-/m0/s1
InChIKey
CVUPNZGFKNTZNW-XOBRGWDASA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Ala-Val-OH
CAS: 139928-72-6
CID: 10960574
Formula: C23H26N2O5
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass410.18417193
Monoisotopic Mass410.18417193
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W106311-01Fmoc-Val-Ala-OH
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