(4s)-4-[[(2s)-2-acetamido-3-(1h-imidazol-5-yl)propanoyl]amino]-5-[[(1s)-1-[[(1s)-2-[[(1s)-1-[[2-[[(1s)-2-[[(1s,2s)-1-carbamoyl-2-methyl-butyl]amino]-1-(1h-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1h-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₄₂H₆₁N₁₅O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C

InChI

InChI=1S/C42H61N15O13/c1-6-21(4)35(36(43)64)57-40(68)28(10-24-14-45-18-49-24)52-31(59)16-47-42(70)34(20(2)3)56-41(69)29(11-25-15-46-19-50-25)54-39(67)30(12-33(62)63)55-37(65)26(7-8-32(60)61)53-38(66)27(51-22(5)58)9-23-13-44-17-48-23/h13-15,17-21,26-30,34-35H,6-12,16H2,1-5H3,(H2,43,64)(H,44,48)(H,45,49)(H,46,50)(H,47,70)(H,51,58)(H,52,59)(H,53,66)(H,54,67)(H,55,65)(H,56,69)(H,57,68)(H,60,61)(H,62,63)/t21-,26-,27-,28-,29-,30-,34-,35-/m0/s1

InChIKey

QZMZFYYLAITBEN-ZPWGHQETSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 15958594