(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[15-[(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]-15-oxopentadecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₈H₁₂₀N₁₄O₂₀

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)CCCCCCCCCCCCCC(=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/C78H120N14O20/c1-9-46(6)65(74(106)91-67(48(8)95)76(108)86-55(38-45(4)5)70(102)88-58(78(111)112)40-50-42-81-52-30-25-24-29-51(50)52)89-68(100)53(34-35-61(79)96)83-73(105)60-31-26-36-92(60)64(99)33-23-18-16-14-12-10-11-13-15-17-22-32-63(98)82-59(43-93)72(104)90-66(47(7)94)75(107)85-54(37-44(2)3)69(101)84-56(41-62(80)97)71(103)87-57(77(109)110)39-49-27-20-19-21-28-49/h19-21,24-25,27-30,42,44-48,53-60,65-67,81,93-95H,9-18,22-23,26,31-41,43H2,1-8H3,(H2,79,96)(H2,80,97)(H,82,98)(H,83,105)(H,84,101)(H,85,107)(H,86,108)(H,87,103)(H,88,102)(H,89,100)(H,90,104)(H,91,106)(H,109,110)(H,111,112)/t46-,47+,48+,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-/m0/s1

InChIKey

RIQAOCUMFAXFSB-OLWQVBBMSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[15-[(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]-15-oxopentadecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471167