API | virginiamycin

virginiamycin Report issue

Small molecule Experimental

AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

1392.57

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)CCN3C(=O)[C@H](Cc4ccc(cc4)N(C)C)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6.CC(C)[C@H]7OC(=O)C8=CCCN8C(=O)c9coc(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]7C)n9
InChIKey: YVMBAUWDIGJRNY-BESUKNQGSA-N
InChI=1S/C45H54N8O10.C28H35N3O7/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t26-,31-,32+,33+,34+,36+,37+;19-,20-,26-/m11/s1
Chirality: None
Inorganic: No
Polymer: No

Sources

CHEMBL2146161 ChEMBL
mikamycin

CHEMBL5314344 ChEMBL
mikamycin

CHEMBL5314345 ChEMBL
virginiamycin

Virginiamycin Wikipedia

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