(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[6-[[6-[(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]-6-oxohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₈₀H₁₂₃N₁₅O₂₂

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)CCCCCN(CCCCCC(=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/C80H123N15O22/c1-12-46(6)65(74(109)93-67(48(8)98)76(111)88-55(38-45(4)5)70(105)90-58(78(114)115)40-50-42-83-52-28-21-20-27-51(50)52)91-68(103)53(32-33-61(81)99)85-73(108)60-29-24-36-95(60)64(102)31-19-15-23-35-94(79(116)117-80(9,10)11)34-22-14-18-30-63(101)84-59(43-96)72(107)92-66(47(7)97)75(110)87-54(37-44(2)3)69(104)86-56(41-62(82)100)71(106)89-57(77(112)113)39-49-25-16-13-17-26-49/h13,16-17,20-21,25-28,42,44-48,53-60,65-67,83,96-98H,12,14-15,18-19,22-24,29-41,43H2,1-11H3,(H2,81,99)(H2,82,100)(H,84,101)(H,85,108)(H,86,104)(H,87,110)(H,88,111)(H,89,106)(H,90,105)(H,91,103)(H,92,107)(H,93,109)(H,112,113)(H,114,115)/t46-,47+,48+,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-/m0/s1

InChIKey

SORGWWGWGQHCDF-OLWQVBBMSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[6-[[6-[(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]-6-oxohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16130577