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(H-Cys-Tyr-OH) 2

CAT: 0926-FC108020-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FC108020-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7369-94-0
Synonyms
(H-Cys-Tyr-OH) 2 (Disulfide bond)
MDL Number
MFCD00037185
Smiles
C1=CC (=CC=C1C[C@@H] (C (=O) O) NC (=O) [C@H] (CSSC[C@@H] (C (=O) N[C@@H] (CC2=CC=C (C=C2) O) C (=O) O) N) N) O
Molecular Formula
C24H30N4O8S2
Molecular Weight
566.65 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

N-(2-Amino-3-((2-amino-3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-3-oxopropyl)dithio)propanoyl)-4-hydroxyphenylalanine
CAS Number7369-94-0
PubChem CID333296
IUPAC Name2-[[2-amino-3-[[2-amino-3-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC24H30N4O8S2
Molecular Weight566.7
XLogP-5.4
Topological Polar Surface Area276
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count38
Formal Charge0
Complexity727
SMILES
C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CSSCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)N)O
InChI
InChI=1S/C24H30N4O8S2/c25-17(21(31)27-19(23(33)34)9-13-1-5-15(29)6-2-13)11-37-38-12-18(26)22(32)28-20(24(35)36)10-14-3-7-16(30)8-4-14/h1-8,17-20,29-30H,9-12,25-26H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)
InChIKey
ZZWGDFPODQWICQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Amino-3-((2-amino-3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-3-oxopropyl)dithio)propanoyl)-4-hydroxyphenylalanine
CAS: 7369-94-0
CID: 333296
Formula: C24H30N4O8S2
MW: 566.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.7
XLogP3-5.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass566.15050628
Monoisotopic Mass566.15050628
Topological Polar Surface Area276 Ų
Heavy Atom Count38
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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