Virginiamycin S1 100 µg/mL in Acetonitrile

Analyte Name

Virginiamycin S1

CAS Number

23152-29-6

Molecular Formula

C43 H49 N7 O10

Molecular Weight

823.89

Concentration

100 μg/mL

Accurate Mass

823.3541

SMILES

O=C1N2[C@](C(=O)N[C@H](C(=O)O[C@H](C)[C@H](NC(=O)C3=C(O)C=CC=N3)C(=O)N[C@H](CC)C(=O)N4[C@](C(=O)N(C)[C@H]1CC5=CC=CC=C5)(CCC4)[H])C6=CC=CC=C6)(CC(=O)CC2)[H]

InChI

InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1

IUPAC

N-[(3S,6S,12R,15S,16R,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxy-pyridine-2-carboxamide

Storage Temperature

-18°C

Shipping Temperature

+20°C

Country of Origin

UNITED STATES

Product Type

Native/Parent

Product Format

Single Solution

Solvent

Acetonitrile