Capreomycin IB

Molecular Formula: C₂₅H₄₄N₁₄O₇

InChI: InChI=1/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12-,13-,14+,15-,18-/m0/s1/f/h32-39H,29-30H2

InChIKey: InChIKey=FRXNXDHFQYZYNA-NJFZGUTFDG
SMILES: CC1C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)NC(C(=O)NCC(C(=O)N1)N)C2CCN=C(N2)N)CNC(=O)CC(CCCN)N

Names:
    BRN 1208633
    Capreomycin IA, 6-L-alanine
    Capreomycin IB
    (3S)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
    33490-33-4

Registries:
    PubChem CID 3034057
    PubChem ID 214713