Glaspimod

Structural Information

Molecular Formula

C₄₈H₇₄N₁₂O₂₂

SMILES

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C48H74N12O22/c49-19-5-3-9-29(47(79)80)57-39(71)23(53-45(77)31(21-37(67)68)59-43(75)27(13-17-35(63)64)55-41(73)25-11-15-33(61)51-25)7-1-2-8-24(40(72)58-30(48(81)82)10-4-6-20-50)54-46(78)32(22-38(69)70)60-44(76)28(14-18-36(65)66)56-42(74)26-12-16-34(62)52-26/h23-32H,1-22,49-50H2,(H,51,61)(H,52,62)(H,53,77)(H,54,78)(H,55,73)(H,56,74)(H,57,71)(H,58,72)(H,59,75)(H,60,76)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,79,80)(H,81,82)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

InChIKey

CNYIEQNFOBBXCP-CJMGQXRASA-N

Compound name

(2S)-6-amino-2-[[(2S,7S)-8-[[(1S)-5-amino-1-carboxypentyl]amino]-2,7-bis[[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]-8-oxooctanoyl]amino]hexanoic acid

Related CIDs

• CID 9898394