AG007E1W

11006-76-1 | Virginiamycin Complex

AG007E1W

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CAS Number	11006-76-1
Catalog Number	AG007E1W(AGN-PC-0P066F)
Chemical Name	Virginiamycin Complex
IUPAC Name	N-(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[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide;21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone
InChI	InChI=1S/C43H49N7O10.C28H35N3O7/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;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/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);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)
InChI Key	MVTQIFVKRXBCHS-UHFFFAOYSA-N
MDL Number	MFCD01778146
Molecular Formula	C71H84N10O17
Molecular Weight	1349.4835
SMILES	O=C1CCN(C([C@@H](N(C)C([C@@]23[H])=O)CC4=CC=CC=C4)=O)[C@@](C(N[C@@H](C5=CC=CC=C5)C(O[C@H](C)[C@H](NC(C6=NC=CC=C6O)=O)C(N[C@H](CC)C(N2CCC3)=O)=O)=O)=O)([H])C1.O=C(/C=C/[C@@H](C)[C@@H](C(C)C)OC(C7=CCCN7C(C8=COC(C9)=N8)=O)=O)NC/C=CC(C)=C[C@@H](O)CC9=O
Synonyms	Antibiotic 899, Eskalin, Founderguard, Stajac, Staphylomycin, Virgimycine, Virginiamycin, Virginiamycin, 11006-76-1, BCP19339, Pristinamycin, Ostreogricina, Ostreogrycine, Ostreogrycinum, Pristinamicina, Pristinamycine, Pristinamycinum, Staphylomycin, Streptogramin, Virginiamicina, Virginiamycina, Virginiamycine, Virginiamycinum, Micamicina, Mikamycine, Mikamycinum, Ostreogrycin, Pyostacine, Stapyocine, Vernamycin, Virgimycin, Mikamycin, Patricin, Stafac, Eskalin V, Stafac 20, Stafac 50, Virginiamycin Complex, Eskalin 500, Virginiamycin (USAN, Stafac 500, Antibiotic No. 899, Mikamycine [INN-French], Mikamycinum [INN-Latin], Micamicina [INN-Spanish], Ostreogrycine [INN-French], Ostreogrycinum [INN-Latin], Mikamycin [BAN:DCF:INN], UNII-C49WS9N75L, Ostreogricina [INN-Spanish], Pristinamycine [INN-French], Pristinamycinum [INN-Latin], Virginiamycine [INN-French], Virginiamycinum [INN-Latin], Pristinamicina [INN-Spanish], Virginiamicina [INN-Spanish], Virginiamycina [INN-Spanish], V-MAX 50, Virginiamycin [USAN:INN:BAN], HSDB 7033, SKF 7988, EINECS 234-244-6, RP7293, Pristinamycin;Staphylomycin;Mikamycine;RP 7293;RP-7293;RP7293;Pyostacine, A mixture of two principal antibiotic components, virginiamycin M1 (Factor M1) and virginiamycin S1 (Factor S). Virginiamycin, N-(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[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide;(12Z,17Z,19Z)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone,

Complexity	2640
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1348.601591g/mol
Formal Charge	0
Heavy Atom Count	98
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	1349.5g/mol
Monoisotopic Mass	1348.601591g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	364Ų
Undefined Atom Stereocenter Count	10
Undefined Bond Stereocenter Count	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H317-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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