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Fmoc-Homocit-OH

CAT: 0127-OR36393-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR36393-01Size:250 mg
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CAS Number
201485-17-8
MDL Number
MFCD00237387
Purity
97%
Smiles
NC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O

Chemical Information

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-ureidohexanoic acid
CAS Number201485-17-8
PubChem CID7019813
IUPAC Name(2S)-6-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC22H25N3O5
Molecular Weight411.5
XLogP2.5
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity592
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCNC(=O)N)C(=O)O
InChI
InChI=1S/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)/t19-/m0/s1
InChIKey
VJZUCXPETVPQIB-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-ureidohexanoic acid
CAS: 201485-17-8
CID: 7019813
Formula: C22H25N3O5
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass411.17942091
Monoisotopic Mass411.17942091
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity592
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

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