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YYLLVR

CAT: 0931-TP2981-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2981-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3060796-96-2
Target
Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolism
Bioactivity
YYLLVR is an inhibitory peptide of angiotensin-converting enzyme (ACE) with an inhibition rate of 89.10%. It demonstrates a low binding energy to ACE at -35.98 kcal/mol. YYLLVR can be utilized in hypertension research.
Smiles
[C@H](CC1=CC=C(O)C=C1)(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)C(C)C)=O)CC(C)C)=O)CC(C)C)=O)NC([C@H](CC2=CC=C(O)C=C2)N)=O
Molecular Formula
C41H63N9O9
Molecular Weight
825.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Yyllvr
CAS Number3060796-96-2
PubChem CID172677512
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC41H63N9O9
Molecular Weight826.0
XLogP-1.1
Topological Polar Surface Area314
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Heavy Atom Count59
Formal Charge0
Complexity1390
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C41H63N9O9/c1-22(2)18-31(48-37(55)33(21-26-11-15-28(52)16-12-26)47-35(53)29(42)20-25-9-13-27(51)14-10-25)36(54)49-32(19-23(3)4)38(56)50-34(24(5)6)39(57)46-30(40(58)59)8-7-17-45-41(43)44/h9-16,22-24,29-34,51-52H,7-8,17-21,42H2,1-6H3,(H,46,57)(H,47,53)(H,48,55)(H,49,54)(H,50,56)(H,58,59)(H4,43,44,45)/t29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
IQEWIQZVMTWPSL-CVUOCSEZSA-N
Chemical Structure
2D Structure
2D structure of Yyllvr
CAS: 3060796-96-2
CID: 172677512
Formula: C41H63N9O9
MW: 826.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight826.0
XLogP3-1.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Exact Mass825.47487462
Monoisotopic Mass825.47487462
Topological Polar Surface Area314 Ų
Heavy Atom Count59
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19069617-01YYLLVR

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