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Z-Val-Trp-OH

CAT: 0024-sc-286954ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-286954ASize:5 g
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CAS Number
18904-53-5

Chemical Information

Z-Val-trp-OH
CAS Number18904-53-5
PubChem CID12990547
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
Molecular FormulaC24H27N3O5
Molecular Weight437.5
XLogP3.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H27N3O5/c1-15(2)21(27-24(31)32-14-16-8-4-3-5-9-16)22(28)26-20(23(29)30)12-17-13-25-19-11-7-6-10-18(17)19/h3-11,13,15,20-21,25H,12,14H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)/t20-,21-/m0/s1
InChIKey
OFRAUBNHWUYJIM-SFTDATJTSA-N
Chemical Structure
2D Structure
2D structure of Z-Val-trp-OH
CAS: 18904-53-5
CID: 12990547
Formula: C24H27N3O5
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass437.19507097
Monoisotopic Mass437.19507097
Topological Polar Surface Area121 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
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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