Canonical SMILES: CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O
Standard InChI: InChI=1S/C104H158N30O28S3/c1-51(2)34-63-88(147)122-69(38-59-43-110-47-113-59)101(160)132-28-15-22-75(132)98(157)121-68(41-82(142)143)90(149)117-66(37-58-42-112-61-19-13-12-18-60(58)61)93(152)128-84(57(11)135)100(159)125-71(94(153)114-56(10)85(107)144)44-163-31-24-78(137)129-48-130-50-131(49-129)80(139)26-33-165-46-73(126-91(150)67(40-81(140)141)118-87(146)62(115-86(145)55(9)105)20-14-27-111-104(108)109)103(162)134-30-17-23-76(134)97(156)120-65(36-53(5)6)92(151)127-83(54(7)8)99(158)123-70(39-77(106)136)102(161)133-29-16-21-74(133)96(155)119-64(35-52(3)4)89(148)124-72(95(154)116-63)45-164-32-25-79(130)138/h12-13,18-19,42-43,47,51-57,62-76,83-84,112,135H,14-17,20-41,44-46,48-50,105H2,1-11H3,(H2,106,136)(H2,107,144)(H,110,113)(H,114,153)(H,115,145)(H,116,154)(H,117,149)(H,118,146)(H,119,155)(H,120,156)(H,121,157)(H,122,147)(H,123,158)(H,124,148)(H,125,159)(H,126,150)(H,127,151)(H,128,152)(H,140,141)(H,142,143)(H4,108,109,111)/t55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-/m0/s1
Standard InChI Key: SUKQBHRYEGBQMC-QAMXRMFNSA-N
Molfile:
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