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Z-Trp-Trp-OH

CAT: 0127-OR1063195-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1063195-01Size:1 g
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CAS Number
57850-17-6
MDL Number
MFCD00022760
Purity
98%
Smiles
O=C(O)[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC2=CNC3=C2C=CC=C3)=O)CC4=CNC5=C4C=CC=C5

Chemical Information

Z-Trp-trp-OH
CAS Number57850-17-6
PubChem CID14160293
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Molecular FormulaC30H28N4O5
Molecular Weight524.6
XLogP4.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity849
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C30H28N4O5/c35-28(33-27(29(36)37)15-21-17-32-25-13-7-5-11-23(21)25)26(14-20-16-31-24-12-6-4-10-22(20)24)34-30(38)39-18-19-8-2-1-3-9-19/h1-13,16-17,26-27,31-32H,14-15,18H2,(H,33,35)(H,34,38)(H,36,37)/t26-,27-/m0/s1
InChIKey
IGVSKBFIFVGVSE-SVBPBHIXSA-N
Chemical Structure
2D Structure
2D structure of Z-Trp-trp-OH
CAS: 57850-17-6
CID: 14160293
Formula: C30H28N4O5
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP34.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass524.20597001
Monoisotopic Mass524.20597001
Topological Polar Surface Area136 Ų
Heavy Atom Count39
Formal Charge0
Complexity849
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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C-2720.0005Z-Trp-Trp-OH
242924-01Z-Trp-Trp-OH 99+%
4001218.0100Z-Trp-OH
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4001610.0025Z-D-Trp-OH
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