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Tos-Gly-Pro-OH

CAT: 0121-4000810.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4000810.0005Size:5 g
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CAS Number
100723-71-5
Specifications
G-3310.0005
Sequence
Tos-Gly-Pro-OH
Molecular Formula
C₁₄H₁₈N₂O₅S
Molecular Weight
326.37
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

(S)-1-(2-(4-Methylphenylsulfonamido)acetyl)pyrrolidine-2-carboxylic acid
CAS Number100723-71-5
PubChem CID11921122
IUPAC Name(2S)-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC14H18N2O5S
Molecular Weight326.37
XLogP0.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity520
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C14H18N2O5S/c1-10-4-6-11(7-5-10)22(20,21)15-9-13(17)16-8-2-3-12(16)14(18)19/h4-7,12,15H,2-3,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKey
PKLPIXGPPLQAQK-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(2-(4-Methylphenylsulfonamido)acetyl)pyrrolidine-2-carboxylic acid
CAS: 100723-71-5
CID: 11921122
Formula: C14H18N2O5S
MW: 326.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.37
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass326.09364285
Monoisotopic Mass326.09364285
Topological Polar Surface Area112 Ų
Heavy Atom Count22
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes