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R 487

CAT: 0931-T34235Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34235Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132041-94-2
Target
Others
Related Pathways
Others
Bioactivity
R 487 is a bioactive chemical.
Smiles
[C@H](CC1=CC=CC=C1)(C(N[C@@H](CC2=CC=CC=C2)C(NCCC(N[C@H](C(N[C@@H](CCSC)C(N)=O)=O)CC(C)C)=O)=O)=O)NC([C@@H](NC([C@H](CC(O)=O)N)=O)CO)=O
Molecular Formula
C39H56N8O10S
Molecular Weight
828.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

R 487

RN refers to all-L isomer

CAS Number132041-94-2
PubChem CID131469
IUPAC Name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC39H56N8O10S
Molecular Weight829.0
XLogP-2.4
Topological Polar Surface Area327
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count58
Formal Charge0
Complexity1380
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C39H56N8O10S/c1-23(2)18-28(37(55)44-27(34(41)52)15-17-58-3)43-32(49)14-16-42-36(54)29(19-24-10-6-4-7-11-24)45-38(56)30(20-25-12-8-5-9-13-25)46-39(57)31(22-48)47-35(53)26(40)21-33(50)51/h4-13,23,26-31,48H,14-22,40H2,1-3H3,(H2,41,52)(H,42,54)(H,43,49)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,50,51)/t26-,27-,28-,29-,30-,31-/m0/s1
InChIKey
YASUUTPQYSSIAK-HPMAGDRPSA-N
Chemical Structure
2D Structure
2D structure of R 487
CAS: 132041-94-2
CID: 131469
Formula: C39H56N8O10S
MW: 829.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight829.0
XLogP3-2.4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass828.38401119
Monoisotopic Mass828.38401119
Topological Polar Surface Area327 Ų
Heavy Atom Count58
Formal Charge0
Complexity1380
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

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