Pte-penta-glu

Molecular Formula: C₃₉H₄₇N₁₁O₁₈

InChI: InChI=1/C39H47N11O18/c40-39-49-31-30(33(58)50-39)43-19(16-42-31)15-41-18-3-1-17(2-4-18)32(57)48-24(38(67)68)8-13-28(54)46-22(36(63)64)6-11-26(52)44-20(34(59)60)5-10-25(51)45-21(35(61)62)7-12-27(53)47-23(37(65)66)9-14-29(55)56/h1-4,16,20-24,41H,5-15H2,(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,57)(H,55,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H3,40,42,49,50,58)/t20-,21-,22-,23-,24-/m0/s1/f/h44-49,55,59,61,63,65,67H,40H2

InChIKey: InChIKey=IVSPPVMFGMVDLI-QKRVEZPLDP
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Names:
    NSC 372667
    Pteroylpentaglutamate
    Pteroylpentaglutamic acid
    Pte-penta-glu
    (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
    25663-26-7
    33611-85-7
    33981-84-9
    35409-54-2
    37793-57-0
    6713-32-2

Registries:
    PubChem CID 73374
    PubChem ID 215628