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Z-Ile-Ser-OH

CAT: 0926-FI111492-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FI111492-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
212612-25-4
MDL Number
MFCD00191110
Smiles
CC[C@H] (C) [C@@H] (C (=O) N[C@@H] (CO) C (=O) O) NC (=O) OCC1=CC=CC=C1
Molecular Formula
C17H24N2O6
Molecular Weight
352.38 g/mol
Controlled
No

Chemical Information

Z-Ile-Ser-OH
CAS Number212612-25-4
PubChem CID6992473
IUPAC Name(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
Molecular FormulaC17H24N2O6
Molecular Weight352.4
XLogP0.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity450
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O6/c1-3-11(2)14(15(21)18-13(9-20)16(22)23)19-17(24)25-10-12-7-5-4-6-8-12/h4-8,11,13-14,20H,3,9-10H2,1-2H3,(H,18,21)(H,19,24)(H,22,23)/t11-,13-,14-/m0/s1
InChIKey
WRDZCFUWKUEZOX-UBHSHLNASA-N
Chemical Structure
2D Structure
2D structure of Z-Ile-Ser-OH
CAS: 212612-25-4
CID: 6992473
Formula: C17H24N2O6
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass352.16343649
Monoisotopic Mass352.16343649
Topological Polar Surface Area125 Ų
Heavy Atom Count25
Formal Charge0
Complexity450
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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Alternative Products

CatalogName
C-2080.0005Z-Ile-Ser-OH
HY-W011054-01Z-Ile-Ile-OH
A6616-25000Z-Ile-OH
G-2430.0005H-Ile-Ser-OH
C-2590.0100Z-Ser-OH
C-1130.0025Z-Ala-Ile-OH
C-2055.0005Z-Ile-His-OH
C-3145.0005Z-Ile-Pro-OH
C-1830.0005Z-Gly-Ile-OH
C-2865.0025Z-Val-Ile-OH

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