Basic Information |
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| Product Name: | PYR-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-D-PHE-LEU-MET-NH2 |
| CAS: | 108437-87-2 |
| English Synonyms: | [D-PHE12]-BOMBESIN ; PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-D-PHE-LEU-MET-NH2 ; PYR-QRLGNQWAVGFLM-NH2 ; PYR-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-D-PHE-LEU-MET-NH2 ; GLP-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-DPHE-LEU-MET-NH2 |
| MDL Number.: | MFCD00076255 |
| H bond acceptor: | 40 |
| H bond donor: | 22 |
| Smile: | CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4 |
| InChi: | InChI=1S/C74H112N22O18S/c1-37(2)29-50(93-65(106)46(19-14-27-81-74(79)80)90-67(108)48(20-23-55(75)97)91-66(107)47-22-25-58(100)86-47)64(105)83-35-59(101)88-54(33-57(77)99)72(113)92-49(21-24-56(76)98)68(109)95-53(32-42-34-82-44-18-13-12-17-43(42)44)69(110)85-40(7)63(104)96-61(39(5)6)73(114)84-36-60(102)87-52(31-41-15-10-9-11-16-41)71(112)94-51(30-38(3)4)70(111)89-45(62(78)103)26-28-115-8/h9-13,15-18,34,37-40,45-54,61,82H,14,19-33,35-36H2,1-8H3,(H2,75,97)(H2,76,98)(H2,77,99)(H2,78,103)(H,83,105)(H,84,114)(H,85,110)(H,86,100)(H,87,102)(H,88,101)(H,89,111)(H,90,108)(H,91,107)(H,92,113)(H,93,106)(H,94,112)(H,95,109)(H,96,104)(H4,79,80,81)/t40-,45-,46-,47-,48-,49-,50-,51-,52+,53-,54-,61-/m0/s1 |
| InChiKey: | InChIKey=NXZVGUQLNAVPLJ-VKXSZNMLSA-N |
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