Chembl1790302

Structural Information

Molecular Formula

C₃₉H₆₂N₁₀O₁₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C39H62N10O17S/c1-6-18(4)31(37(63)47-30(17(2)3)38(64)49-11-7-8-24(49)36(62)46-23(16-67)39(65)66)48-35(61)22(13-29(56)57)45-34(60)21(12-28(54)55)44-26(51)15-41-32(58)19(5)42-33(59)20(9-10-27(52)53)43-25(50)14-40/h17-24,30-31,67H,6-16,40H2,1-5H3,(H,41,58)(H,42,59)(H,43,50)(H,44,51)(H,45,60)(H,46,62)(H,47,63)(H,48,61)(H,52,53)(H,54,55)(H,56,57)(H,65,66)/t18-,19-,20-,21-,22-,23-,24-,30-,31-/m0/s1

InChIKey

CBUKLMANAVWKNJ-YSLRPICCSA-N

Compound name

(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[2-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5483082