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CHEBI:757111 - cefilavancin
| Formula | C87H95Cl3N16O28S2 |
| Net Charge | 0 |
| Average Mass | 1983.294 |
| Monoisotopic Mass | 1980.50087 |
| SMILES | [H][C@]1(O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]4C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCO/N=C(\C(=O)N[C@@H]4C(=O)N5C(C(=O)[O-])=C(C[n+]6ccccc6)CS[C@]45[H])c4nc(N)sc4Cl)c4cc(O)cc(O)c4-c4cc2ccc4O)[C@H](O)c2ccc(c(Cl)c2)O3)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1 |
| InChIKey | OGUAFUAJSPORAH-KHCCTVBNSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cefilavancin (CHEBI:757111) has role antibacterial agent (CHEBI:33282) |
| cefilavancin (CHEBI:757111) is a polypeptide (CHEBI:15841) |
| INNs | Source |
|---|---|
| cefilavancin | WHO MedNet |
| cefilavancina | WHO MedNet |
| cefilavancine | WHO MedNet |
| Synonym | Source |
|---|---|
| TD-1792 | ChEMBL |