Basic Information |
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| Product Name： | AC-SYS(NLE)EH(D-PHE)RWGKPVK(BIOTIN)-AMIDE |
| English Synonyms： | PROOPIOMELANOCORTIN PRECURSOR FRAGMENT ACETYL/NORLEUCINE/D-PHE/BIOTIN/AMIDE ; AC-SYS(NLE)EH(D-PHE)RWGKPVK(BIOTIN)-AMIDE |
| MDL Number.： | MFCD08274393 |
| H bond acceptor： | 47 |
| H bond donor： | 27 |
| Smile： | CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc8ccc(cc8)O)NC(=O)[C@H](CO)NC(=O)C |
| InChi： | InChI=1S/C94H137N25O22S/c1-5-6-23-62(109-89(137)71(49-121)115-86(134)67(42-55-31-33-58(123)34-32-55)112-88(136)70(48-120)105-53(4)122)82(130)110-64(35-36-77(126)127)84(132)114-69(44-57-46-99-51-104-57)87(135)111-66(41-54-20-8-7-9-21-54)85(133)108-63(27-18-39-101-93(97)98)83(131)113-68(43-56-45-102-60-24-11-10-22-59(56)60)81(129)103-47-76(125)106-65(26-14-16-37-95)92(140)119-40-19-28-73(119)90(138)117-78(52(2)3)91(139)107-61(80(96)128)25-15-17-38-100-75(124)30-13-12-29-74-79-72(50-142-74)116-94(141)118-79/h7-11,20-22,24,31-34,45-46,51-52,61-74,78-79,102,120-121,123H,5-6,12-19,23,25-30,35-44,47-50,95H2,1-4H3,(H2,96,128)(H,99,104)(H,100,124)(H,103,129)(H,105,122)(H,106,125)(H,107,139)(H,108,133)(H,109,137)(H,110,130)(H,111,135)(H,112,136)(H,113,131)(H,114,132)(H,115,134)(H,117,138)(H,126,127)(H4,97,98,101)(H2,116,118,141)/t61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73-,74-,78-,79-/m0/s1 |
| InChiKey： | InChIKey=DJJBEXOENOIYKM-GEXOSKRXSA-N |
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