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Z-Gln (Trt) -OH

CAT: 0127-OR1030396-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030396-01Size:1 g
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CAS Number
132388-60-4
Synonyms
(2S) -5-oxo-2- (phenylmethoxycarbonylamino) -5- (tritylamino) pentanoic acid
Purity
98%
Smiles
C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Chemical Information

Z-Gln(Trt)-OH
CAS Number132388-60-4
PubChem CID10962399
IUPAC Name(2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(tritylamino)pentanoic acid
Molecular FormulaC32H30N2O5
Molecular Weight522.6
XLogP5.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity732
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C32H30N2O5/c35-29(22-21-28(30(36)37)33-31(38)39-23-24-13-5-1-6-14-24)34-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,33,38)(H,34,35)(H,36,37)/t28-/m0/s1
InChIKey
MYOAIKMOWHPBQS-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Z-Gln(Trt)-OH
CAS: 132388-60-4
CID: 10962399
Formula: C32H30N2O5
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass522.21547206
Monoisotopic Mass522.21547206
Topological Polar Surface Area105 Ų
Heavy Atom Count39
Formal Charge0
Complexity732
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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C-3375.0005Z-Gln(Trt)-OH
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