Basic Information |
|
| Product Name： | LHQRRGAIKQAKVHHVKC-NH2 |
| English Synonyms： | LHQRRGAIKQAKVHHVKC-NH2 |
| MDL Number.： | MFCD03452703 |
| H bond acceptor： | 56 |
| H bond donor： | 33 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(C)C)N |
| InChi： | InChI=1S/C91H158N36O20S/c1-11-49(8)72(127-75(133)50(9)112-69(130)41-108-77(135)56(23-18-32-106-90(99)100)115-80(138)60(24-19-33-107-91(101)102)116-82(140)62(26-28-68(97)129)118-84(142)63(35-52-38-103-43-109-52)121-76(134)55(95)34-46(2)3)89(147)120-57(20-12-15-29-92)79(137)117-61(25-27-67(96)128)78(136)113-51(10)74(132)114-59(22-14-17-31-94)83(141)125-71(48(6)7)88(146)123-64(36-53-39-104-44-110-53)85(143)122-65(37-54-40-105-45-111-54)86(144)126-70(47(4)5)87(145)119-58(21-13-16-30-93)81(139)124-66(42-148)73(98)131/h38-40,43-51,55-66,70-72,148H,11-37,41-42,92-95H2,1-10H3,(H2,96,128)(H2,97,129)(H2,98,131)(H,103,109)(H,104,110)(H,105,111)(H,108,135)(H,112,130)(H,113,136)(H,114,132)(H,115,138)(H,116,140)(H,117,137)(H,118,142)(H,119,145)(H,120,147)(H,121,134)(H,122,143)(H,123,146)(H,124,139)(H,125,141)(H,126,144)(H,127,133)(H4,99,100,106)(H4,101,102,107)/t49-,50-,51-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1 |
| InChiKey： | InChIKey=KDMIXBGCHSFJMY-ILBPDFPVSA-N |
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