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SMILES: N12C(C(=O)N[C@@H](c3ccccc3)C(=O)O[C@H]([C@H](NC(=O)c3c(cccn3)O)C(=O)N[C@@H](C(=O)N3[C@H](C(=O)N([C@H](C1=O)Cc1ccc(cc1)N(C)C)C)CCC3)CC)C)CC(=O)C(C2)CS[C@H]1C2CCN(C1)CC2 Canonical SMILES: CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@@H](NC(=O)C2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)CC(CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1 InChI: InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1 InChIKey: WTHRRGMBUAHGNI-MJWHERSYSA-N
CBID:1193 http://www.chembase.cn/molecule-1193.html