Paldimycin A

Molecular Formula: C₄₄H₆₄N₄O₂₃S₃

InChI: InChI=1/C44H64N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50/h16-19,23-24,26-28,31-34,36,53,63-64H,10-15,45H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60)/t16-,17u,18-,19-,23-,24-,26+,27-,28?,31?,32+,33+,34-,36+,43+,44-/m0/s1/f/h46-48,55,57,59H

InChIKey: InChIKey=UZGZVADYRITDOQ-GKJAAYDCDV
SMILES: CCC(C)C(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C(C(C)SCC(C(=O)O)NC(=O)C)NC(=S)SCC(C(=O)O)NC(=O)C)COC(=O)C)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)C)O

Names:
    Antibiotic 273 A1-alpha
    L-Cysteine, N-acetyl-, (2-((2-(acetylamino)-2-carboxyethyl)thio)-1-carboxypropyl)carbamodithioate (ester), 4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxobutoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid
    L-Cysteine, N-acetyl-, (2-((2-(acetylamino)-2-carboxyethyl)thio)-1-carboxypropyl)carbamodithioate(ester), 4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxobutoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid
    Paldimycin A
    (5S)-5-[(2R,3S,4S,5R,6R)-5-[3-[(2S)-2-acetamido-2-carboxy-ethyl]sulfanyl-2-[[(2S)-2-acetamido-2-carboxy-ethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-oxan-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
    101411-70-5
    2-Amino-5-(3-O-(2,6-dideoxy-4-C-((1S)-1-hydroxyethyl)-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid, 4'-(3-(((2R)-2-acetamido-2-carboxyethyl)thio)-2-((dithiocarboxy)amino)butyrate), 6'-acetate, 4''-C-((2S)-2-methylbutyrate), S-ester with N-acetyl-L-cysteine
    94555-00-7

Registries:
    PubChem CID 3034031
    PubChem ID 214055