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Fmoc-Val-Cit-OH

CAT: 1299-RM-F131663-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F131663-01Size:10 mg
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CAS Number
159858-21-6
Synonyms
(S) -2- ((S) -2- ((((9H-fluoren-9-yl) methoxy) carbonyl) amino) -3-methylbutanamido) -5-ureidopentanoic acid
Molecular Formula
C26H32N4O6
Molecular Weight
496.56
Target Alternative Name
Fmoc

Chemical Information

(S)-2-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid
CAS Number159858-21-6
PubChem CID58021046
IUPAC Name(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoic acid
Molecular FormulaC26H32N4O6
Molecular Weight496.6
XLogP2.9
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity768
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C26H32N4O6/c1-15(2)22(23(31)29-21(24(32)33)12-7-13-28-25(27)34)30-26(35)36-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)(H3,27,28,34)/t21-,22-/m0/s1
InChIKey
ZJLNQOIFTYLCHC-VXKWHMMOSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid
CAS: 159858-21-6
CID: 58021046
Formula: C26H32N4O6
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP32.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass496.23218475
Monoisotopic Mass496.23218475
Topological Polar Surface Area160 Ų
Heavy Atom Count36
Formal Charge0
Complexity768
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