Ostreogrycin B

AlkaPlorer ID: AK308789

Synonym: 4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1, Mikamycin Ia, Mikamycin B, Pristinamycin IA, Streptogramin B, Syncothrecin B1, Synergistin B, Vernamycin Bα, Virginiamycin 1A, Virginiamycin B, NSC 125176, PA 114B, RP 12535, Antibiotic 14725-1, Antibiotic PA 114B, Antibiotic RP 12535 

IUPAC Name: N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

Structure

SMILES: CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(C2=CC=CC=C2)NC(=O)C2CC(=O)CCN2C(=O)C(CC2=CC=C(N(C)C)C=C2)N(C)C(=O)C2CCCN2C1=O

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InChI: InChI=1S/C45H54N8O10/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/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)

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InChIKey: YGXCETJZBDTKRY-UHFFFAOYSA-N

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Reference

PubChem CID: 14974

CAS: 3131-03-1

COCONUT: CNP0270586.5

Properties Information

Molecule Weight: 866.9729999999996

TPSA: 227.96

MolLogP: 1.270000000000006

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information