Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)CC
Standard InChI: InChI=1S/C92H149N27O22S2/c1-12-50(5)70(117-84(138)71(51(6)13-2)116-75(129)58(29-24-39-102-89(97)98)108-85(139)72(52(7)120)115-68(124)47-104-53(8)121)83(137)112-63(44-55-31-33-56(122)34-32-55)77(131)111-65(46-69(125)126)79(133)106-59(30-25-40-103-90(99)100)81(135)118-91(9)36-21-16-14-15-17-22-37-92(10,87(141)114-66(48-142)80(134)105-57(28-23-38-101-88(95)96)74(128)109-61(73(94)127)45-67(93)123)119-82(136)60(35-41-143-11)107-76(130)62(42-49(3)4)110-78(132)64(113-86(91)140)43-54-26-19-18-20-27-54/h14-15,18-20,26-27,31-34,49-52,57-66,70-72,120,122,142H,12-13,16-17,21-25,28-30,35-48H2,1-11H3,(H2,93,123)(H2,94,127)(H,104,121)(H,105,134)(H,106,133)(H,107,130)(H,108,139)(H,109,128)(H,110,132)(H,111,131)(H,112,137)(H,113,140)(H,114,141)(H,115,124)(H,116,129)(H,117,138)(H,118,135)(H,119,136)(H,125,126)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/b15-14-/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-,91-,92-/m0/s1
Standard InChI Key: YFVARPBUZODTDL-OYPIPQMDSA-N
Molfile:
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M END