Molecular Structure:
CCD No.:CCD04011783
VRRFPWWWAFLRR-NH2
Formula:C94 H133 N29 O13
MolWeight:1877.27
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| Product Name： | VRRFPWWWAFLRR-NH2 |
| English Synonyms： | [ALA9]-TRITRP8 ; VRRFPWWWAFLRR-NH2 |
| MDL Number.： | MFCD18252139 |
| H bond acceptor： | 42 |
| H bond donor： | 28 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CC6CNc7c6cccc7)NC(=O)[C@@H]8CCCN8C(=O)[C@H](Cc9ccccc9)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)N |
| InChi： | InChI=1S/C94H133N29O13/c1-52(2)43-70(84(130)115-67(34-19-39-106-92(99)100)80(126)113-66(78(96)124)33-18-38-105-91(97)98)118-85(131)71(44-55-23-8-6-9-24-55)117-79(125)54(5)112-83(129)72(46-57-49-109-63-30-15-12-27-60(57)63)119-86(132)73(47-58-50-110-64-31-16-13-28-61(58)64)120-87(133)74(48-59-51-111-65-32-17-14-29-62(59)65)121-88(134)76-37-22-42-123(76)90(136)75(45-56-25-10-7-11-26-56)122-82(128)68(35-20-40-107-93(101)102)114-81(127)69(36-21-41-108-94(103)104)116-89(135)77(95)53(3)4/h6-17,23-32,49-50,52-54,59,66-77,109-111H,18-22,33-48,51,95H2,1-5H3,(H2,96,124)(H,112,129)(H,113,126)(H,114,127)(H,115,130)(H,116,135)(H,117,125)(H,118,131)(H,119,132)(H,120,133)(H,121,134)(H,122,128)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t54-,59?,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1 |
| InChiKey： | InChIKey=DKZHNXCZEMFNAS-HIWDQOQCSA-N |
Basic Information
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