Chembl445658

Structural Information

Molecular Formula

C₃₆H₅₁N₁₃O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CN=CN2)N)O

InChI

InChI=1S/C36H51N13O14/c1-16(51)29(49-31(58)19(37)8-18-12-41-15-43-18)36(63)48-23(11-28(55)56)34(61)46-21(9-25(38)52)32(59)42-13-27(54)44-24(14-50)35(62)47-22(10-26(39)53)33(60)45-20(30(40)57)7-17-5-3-2-4-6-17/h2-6,12,15-16,19-24,29,50-51H,7-11,13-14,37H2,1H3,(H2,38,52)(H2,39,53)(H2,40,57)(H,41,43)(H,42,59)(H,44,54)(H,45,60)(H,46,61)(H,47,62)(H,48,63)(H,49,58)(H,55,56)/t16-,19+,20+,21+,22+,23+,24+,29+/m1/s1

InChIKey

JFCNJVBJNBMHMO-MRLJCRNLSA-N

Compound name

(3S)-4-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 11846954