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Substance Name: Antibiotic 273 A2-beta
RN: 102301-13-3
InChIKey: OSAAXJKPPVMKIM-UKLZIDIESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H53-N3-O20-S2

Molecular Weight

  • 935.9697
 
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Names and Synonyms

Results Name

  • Antibiotic 273 A2-beta

Synonym

  • Antibiotic 273 A2-beta

Systematic Name

  • L-Cysteine, N-acetyl-, (1-carboxy-1-propenyl)carbamodithioate (ester), 4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxopropoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid

Registry Numbers

CAS Registry Number

  • 102301-13-3

System Generated Number

  • 0102301133

Structure Descriptors

InChI

1S/C38H53N3O20S2/c1-9-19(41-36(62)63-13-20(32(47)48)40-17(6)42)35(52)61-28-22(12-56-18(7)43)59-31(37(53)11-21(44)26(39)25(30(37)46)33(49)50)27(45)29(28)60-24-10-23(55-8)38(54,15(4)57-24)16(5)58-34(51)14(2)3/h9,14-16,20,22-24,27-29,31,45,53-54H,10-13,39H2,1-8H3,(H,40,42)(H,41,62)(H,47,48)(H,49,50)/b19-9+/t15-,16?,20?,22+,23-,24-,27+,28+,29-,31?,37?,38-/m0/s1

InChIKey

OSAAXJKPPVMKIM-UKLZIDIESA-N

Smiles

C/C=C(\C(=O)O[C@@H]1[C@H](OC([C@@H]([C@@H]1O[C@H]2C[C@@H]([C@]([C@@H](O2)C)(C(C)OC(=O)C(C)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)/NC(=S)SCC(C(=O)O)NC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 419, 1987.