Canonical SMILES
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CC(CC(C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)COC(C)(C)C)C
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Isomeric SMILES
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CC(C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)COC(C)(C)C)C
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InChI
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InChI=1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(22(3)44)36(51)52)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-53-37(4,5)6)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1
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InChI Key
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DOMQMNWQZKXZCU-GUVNKXFDSA-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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