Tìm theo
Virginiamycin factor S1
Các tên gọi khác (2) :
  • Virginiamycin factor S
  • Virginiamycin S1
Thuốc trị ký sinh trùng, chống nhiễm khuẩn
Thuốc Gốc
Small Molecule
CAS: 23152-29-6
CTHH: C43H49N7O10
PTK: 823.8901
One of the components of virginiamycin, a cyclic polypeptide antibiotic complex from streptomyces virginiae, s. Loidensis, s. Mitakaensis, s. Pristina-spiralis, s. Ostreogriseus, and others. It is used to treat infections with gram-positive organisms and as a growth promoter in cattle, swine, and poultry.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C43H49N7O10
Phân tử khối
823.8901
Monoisotopic mass
823.354090823
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
InChI Key
InChIKey=FEPMHVLSLDOMQC-CPKGNLGUSA-N
IUPAC Name
N-[(3R,6R,12S,15S,16R,19S,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-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Traditional IUPAC Name
virginiamycin factor S1
SMILES
CC[C@@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@H]2CCCN2C1=O)C1=CC=CC=C1
Độ hòa tan
1.39e-01 g/l
logP
1.85
logS
-3.8
pKa (strongest acidic)
7.53
pKa (Strongest Basic)
1.57
PSA
224.72 Å2
Refractivity
213.24 m3·mol-1
Polarizability
83.68 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
6
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04805
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46937022
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507514
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11269
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