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Fmoc-Trp-Pro-OH

CAT: 0127-OR36411Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR36411Size:5 g
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CAS Number
251316-94-6
MDL Number
MFCD00672335
Purity
=95%
Smiles
OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC4c5ccccc5c6ccccc46

Chemical Information

Fmoc-Trp-Pro-OH
CAS Number251316-94-6
PubChem CID75535010
IUPAC Name(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC31H29N3O5
Molecular Weight523.6
XLogP5.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity891
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C31H29N3O5/c35-29(34-15-7-14-28(34)30(36)37)27(16-19-17-32-26-13-6-5-8-20(19)26)33-31(38)39-18-25-23-11-3-1-9-21(23)22-10-2-4-12-24(22)25/h1-6,8-13,17,25,27-28,32H,7,14-16,18H2,(H,33,38)(H,36,37)/t27-,28-/m0/s1
InChIKey
RWRDEMGNKJZHKQ-NSOVKSMOSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Trp-Pro-OH
CAS: 251316-94-6
CID: 75535010
Formula: C31H29N3O5
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass523.21072103
Monoisotopic Mass523.21072103
Topological Polar Surface Area112 Ų
Heavy Atom Count39
Formal Charge0
Complexity891
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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