Peptide R, a cyclic peptide, is a specific CXCR4 antagonist.
CAT No: GR2166
CAS No: 1774344-28-3
Chemical Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
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M.F/Formula | C39H59N13O8S2 |
M.W/Mr. | 902.10 |
InChI | InChI=1S/C39H59N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29(20-61)36(58)48-26(15-9-17-46-39(43)44)33(55)49-27(18-23-10-4-2-5-11-23)34(56)50-28(19-24-12-6-3-7-13-24)35(57)52-30(21-62)37(59)60/h2-7,10-13,22,25-30,61-62H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 |
InChI Key | QUGHRLVSZPPQPK-ODKJCKIQSA-N |
Canonical SMILES | CC(C(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCN=C(N)N)N |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N |
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