(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[7-[[7-[(2s)-2-[[(2s)-5-amino-1-[[(2s,3s)-1-[[(2s,3r)-1-[[(2s)-1-[[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-7-oxoheptyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₈₂H₁₂₇N₁₅O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCCCCN(CCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C82H127N15O22/c1-12-48(6)67(76(111)95-69(50(8)100)78(113)90-57(40-47(4)5)72(107)92-60(80(116)117)42-52-44-85-54-30-23-22-29-53(52)54)93-70(105)55(34-35-63(83)101)87-75(110)62-31-26-38-97(62)66(104)33-21-14-16-25-37-96(81(118)119-82(9,10)11)36-24-15-13-20-32-65(103)86-61(45-98)74(109)94-68(49(7)99)77(112)89-56(39-46(2)3)71(106)88-58(43-64(84)102)73(108)91-59(79(114)115)41-51-27-18-17-19-28-51/h17-19,22-23,27-30,44,46-50,55-62,67-69,85,98-100H,12-16,20-21,24-26,31-43,45H2,1-11H3,(H2,83,101)(H2,84,102)(H,86,103)(H,87,110)(H,88,106)(H,89,112)(H,90,113)(H,91,108)(H,92,107)(H,93,105)(H,94,109)(H,95,111)(H,114,115)(H,116,117)/t48-,49+,50+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1

InChIKey

UYWAASPSEKVKMI-BCSZNGETSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[7-[[7-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-7-oxoheptyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16130578