(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[17-[(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]-17-oxoheptadecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₈₀H₁₂₄N₁₄O₂₀

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)CCCCCCCCCCCCCCCC(=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

InChI

InChI=1S/C80H124N14O20/c1-9-48(6)67(76(108)93-69(50(8)97)78(110)88-57(40-47(4)5)72(104)90-60(80(113)114)42-52-44-83-54-32-27-26-31-53(52)54)91-70(102)55(36-37-63(81)98)85-75(107)62-33-28-38-94(62)66(101)35-25-20-18-16-14-12-10-11-13-15-17-19-24-34-65(100)84-61(45-95)74(106)92-68(49(7)96)77(109)87-56(39-46(2)3)71(103)86-58(43-64(82)99)73(105)89-59(79(111)112)41-51-29-22-21-23-30-51/h21-23,26-27,29-32,44,46-50,55-62,67-69,83,95-97H,9-20,24-25,28,33-43,45H2,1-8H3,(H2,81,98)(H2,82,99)(H,84,100)(H,85,107)(H,86,103)(H,87,109)(H,88,110)(H,89,105)(H,90,104)(H,91,102)(H,92,106)(H,93,108)(H,111,112)(H,113,114)/t48-,49+,50+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1

InChIKey

RAMIDGDUWNKRCM-BCSZNGETSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[17-[(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]-17-oxoheptadecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471169