Canonical SMILES
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OCC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)CN)CO)CC(C)C
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Isomeric SMILES
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CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
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InChI
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InChI=1S/C38H61N9O15/c1-19(2)15-22(41-32(55)23(17-48)42-34(57)30(20(3)50)44-28(51)16-39)31(54)43-24(18-49)35(58)46-13-5-8-26(46)37(60)47-14-6-9-27(47)36(59)45-12-4-7-25(45)33(56)40-21(38(61)62)10-11-29(52)53/h19-27,30,48-50H,4-18,39H2,1-3H3,(H,40,56)(H,41,55)(H,42,57)(H,43,54)(H,44,51)(H,52,53)(H,61,62)/t20-,21+,22+,23+,24+,25+,26+,27+,30+/m1/s1
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InChI Key
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ANGOCTQQCKYVPZ-FTBSUAHMSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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