Basic Information |
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Product Name: | CARTILOSTATIN-1 |
English Synonyms: | SER-PRO-TRP-SER-LYS-CYS-SER-ALA-ALA-CYS-GLY-GLN-THR-VAL-GLN-THR-ARG-THR-ARG ; CARTILOSTATIN-1 ; SPWSKCSAAC-GQTGVQTRTR |
MDL Number.: | MFCD11656188 |
H bond acceptor: | 57 |
H bond donor: | 35 |
Smile: | CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)N |
InChi: | InChI=1S/C84H139N29O28S2/c1-37(2)61(77(135)102-50(22-24-59(88)121)71(129)111-62(40(5)117)78(136)101-48(18-12-26-93-83(89)90)69(127)110-63(41(6)118)79(137)103-51(82(140)141)19-13-27-94-84(91)92)109-80(138)64(42(7)119)112-70(128)49(21-23-58(87)120)99-60(122)31-96-67(125)55(35-142)107-66(124)39(4)97-65(123)38(3)98-73(131)53(33-115)106-75(133)56(36-143)108-68(126)47(17-10-11-25-85)100-74(132)54(34-116)105-72(130)52(29-43-30-95-46-16-9-8-15-44(43)46)104-76(134)57-20-14-28-113(57)81(139)45(86)32-114/h8-9,15-16,30,37-42,45,47-57,61-64,95,114-119,142-143H,10-14,17-29,31-36,85-86H2,1-7H3,(H2,87,120)(H2,88,121)(H,96,125)(H,97,123)(H,98,131)(H,99,122)(H,100,132)(H,101,136)(H,102,135)(H,103,137)(H,104,134)(H,105,130)(H,106,133)(H,107,124)(H,108,126)(H,109,138)(H,110,127)(H,111,129)(H,112,128)(H,140,141)(H4,89,90,93)(H4,91,92,94)/t38-,39-,40+,41+,42+,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-,64-/m0/s1 |
InChiKey: | InChIKey=HDDCRGCGXQSDAP-RNVOEXEVSA-N |
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