Paldimycin B

Molecular Formula: C₄₃H₆₂N₄O₂₃S₃

InChI: InChI=1/C43H62N4O23S3/c1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h15-18,22-23,25-27,30-33,35,52,62-63H,10-14,44H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16u,17-,18-,22-,23-,25+,26-,27?,30?,31+,32+,33-,35+,42+,43-/m0/s1/f/h45-47,54,56,58H

InChIKey: InChIKey=VBFMBQWGGZGDKY-SVQIYQDDDX
SMILES: CC1C(C(CC(O1)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)OC)(C(C)OC(=O)C(C)C)O

Names:
    Antibiotic 273 A1-beta
    L-Cysteine, N-acetyl-, (2-((2-(acetylamino)-2-carboxyethyl)thio)-1-carboxypropyl)carbamodithioate (ester), 1'-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
    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-oxopropoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid
    Paldimycin B
    (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-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-oxan-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
    101411-71-6
    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-isobutyrate, S-ester with N-acetyl-L-cysteine
    94555-01-8

Registries:
    PubChem CID 3034040
    PubChem ID 214294