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Dihexa 25mg

CAT: 0628-A20933-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20933-25Size:25 mg
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CAS Number
1401708-83-5

Chemical Information

N-(1-Oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide
CAS Number1401708-83-5
PubChem CID129010512
IUPAC Name(2S,3S)-N-(6-amino-6-oxohexyl)-2-[[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide
Molecular FormulaC27H44N4O5
Molecular Weight504.7
XLogP2.3
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity679
SMILES
CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(=O)N
InChI
InChI=1S/C27H44N4O5/c1-4-6-8-12-24(34)30-22(18-20-13-15-21(32)16-14-20)26(35)31-25(19(3)5-2)27(36)29-17-10-7-9-11-23(28)33/h13-16,19,22,25,32H,4-12,17-18H2,1-3H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t19-,22-,25-/m0/s1
InChIKey
XEUVNVNAVKZSPT-JTJYXVOQSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide
CAS: 1401708-83-5
CID: 129010512
Formula: C27H44N4O5
MW: 504.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.7
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Exact Mass504.33117052
Monoisotopic Mass504.33117052
Topological Polar Surface Area151 Ų
Heavy Atom Count36
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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