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Fmoc-D-Arg (Pbf) -OH

CAT: 0926-FF40496-01Size: 0.025 kgDry Ice: NoHazardous: No
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CAS Number
187618-60-6
MDL Number
MFCD00237010
Smiles
C (OC (N[C@H] (CCCNC (NS (=O) (=O) C=1C (C) =C2C (=C (C) C1C) OC (C) (C) C2) =N) C (O) =O) =O) C3C=4C (C=5C3=CC=CC5) =CC=CC4
Molecular Formula
C34H40N4O7S
Molecular Weight
648.77 g/mol
Controlled
No

Chemical Information

(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoic acid
CAS Number187618-60-6
PubChem CID46737258
IUPAC Name(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC34H40N4O7S
Molecular Weight648.8
XLogP5.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity1210
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m1/s1
InChIKey
HNICLNKVURBTKV-MUUNZHRXSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoic acid
CAS: 187618-60-6
CID: 46737258
Formula: C34H40N4O7S
MW: 648.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.8
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass648.26177080
Monoisotopic Mass648.26177080
Topological Polar Surface Area178 Ų
Heavy Atom Count46
Formal Charge0
Complexity1210
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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