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REA

CAT: 0931-T81306-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81306-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
945245-82-9
Bioactivity
REA is a peptide that selectively identifies lymphatic vessels in a premalignant stage rather than those associated with tumor lymphatics [1].
Smiles
[C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CS)N)=O)CCCNC(=N)N)=O)CCC(O)=O)=O)C)=O)=O)CCCNC(=N)N)=O)(C(N[C@H](C(N[C@H](C(O)=O)CS)=O)C)=O)CCCCN
Molecular Formula
C37H68N16O12S2
Molecular Weight
993.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Cys-Arg-Glu-Ala-Gly-Arg-Lys-Ala-Cys-OH
CAS Number945245-82-9
PubChem CID11557093
IUPAC Name(4S)-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC37H68N16O12S2
Molecular Weight993.2
XLogP-11
Topological Polar Surface Area490
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Heavy Atom Count67
Formal Charge0
Complexity1750
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)N
InChI
InChI=1S/C37H68N16O12S2/c1-18(47-32(61)24(10-11-27(55)56)52-34(63)23(9-6-14-45-37(42)43)50-30(59)20(39)16-66)28(57)46-15-26(54)49-21(8-5-13-44-36(40)41)33(62)51-22(7-3-4-12-38)31(60)48-19(2)29(58)53-25(17-67)35(64)65/h18-25,66-67H,3-17,38-39H2,1-2H3,(H,46,57)(H,47,61)(H,48,60)(H,49,54)(H,50,59)(H,51,62)(H,52,63)(H,53,58)(H,55,56)(H,64,65)(H4,40,41,44)(H4,42,43,45)/t18-,19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey
WDUGZGANLNYPJA-PRQSBNOCSA-N
Chemical Structure
2D Structure
2D structure of H-Cys-Arg-Glu-Ala-Gly-Arg-Lys-Ala-Cys-OH
CAS: 945245-82-9
CID: 11557093
Formula: C37H68N16O12S2
MW: 993.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight993.2
XLogP3-11
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Exact Mass992.46440402
Monoisotopic Mass992.46440402
Topological Polar Surface Area490 Ų
Heavy Atom Count67
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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