Canonical SMILES
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NCCCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)Cc1nc[nH]c1)C)Cc1ccccc1
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Isomeric SMILES
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C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
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InChI
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InChI=1S/C58H69N13O10/c1-33(65-53(75)43(60)24-36-19-21-40(72)22-20-36)51(73)69-50(28-39-31-61-32-64-39)57(79)71-48(26-37-29-62-44-16-8-6-14-41(37)44)54(76)66-34(2)52(74)68-49(27-38-30-63-45-17-9-7-15-42(38)45)56(78)70-47(25-35-12-4-3-5-13-35)55(77)67-46(58(80)81)18-10-11-23-59/h3-9,12-17,19-22,29-34,43,46-50,62-63,72H,10-11,18,23-28,59-60H2,1-2H3,(H,61,64)(H,65,75)(H,66,76)(H,67,77)(H,68,74)(H,69,73)(H,70,78)(H,71,79)(H,80,81)/t33-,34-,43-,46-,47-,48-,49-,50-/m0/s1
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InChI Key
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ODZXFAKPKDUICF-GCUJDKQKSA-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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