Pristinamycin IC 

AlkaPlorer ID: AK311134

Synonym: 2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1, Vernamycin Bγ, Ostreogrycin B1, Ostreogricin Z1, E 129Z1, Antibiotic E 129Z1 

IUPAC Name: N-[3-[[4-(dimethylamino)phenyl]methyl]-4,12,16-trimethyl-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: CC1NC(=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/C44H52N8O10/c1-25-41(58)51-21-10-13-31(51)42(59)50(5)33(23-27-15-17-29(18-16-27)49(3)4)43(60)52-22-19-30(53)24-32(52)38(55)48-36(28-11-7-6-8-12-28)44(61)62-26(2)35(39(56)46-25)47-40(57)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25-26,31-33,35-36,54H,10,13,19,21-24H2,1-5H3,(H,46,56)(H,47,57)(H,48,55)

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InChIKey: BYRKDHSWMQLYJB-UHFFFAOYSA-N

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Reference

PubChem CID: 443310

CAS: 28979-74-0

COCONUT: CNP0241251.1

Properties Information

Molecule Weight: 852.9459999999997

TPSA: 227.96

MolLogP: 0.8799000000000072

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