(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]amino]heptanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₇H₁₁₉N₁₅O₂₀

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)CCCCCCNCCCCCCC(=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/C77H119N15O20/c1-9-45(6)64(73(106)91-66(47(8)95)75(108)86-54(37-44(4)5)69(102)88-57(77(111)112)39-49-41-81-51-27-20-19-26-50(49)51)89-67(100)52(31-32-60(78)96)83-72(105)59-28-23-35-92(59)63(99)30-18-11-13-22-34-80-33-21-12-10-17-29-62(98)82-58(42-93)71(104)90-65(46(7)94)74(107)85-53(36-43(2)3)68(101)84-55(40-61(79)97)70(103)87-56(76(109)110)38-48-24-15-14-16-25-48/h14-16,19-20,24-27,41,43-47,52-59,64-66,80-81,93-95H,9-13,17-18,21-23,28-40,42H2,1-8H3,(H2,78,96)(H2,79,97)(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)/t45-,46+,47+,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-/m0/s1

InChIKey

CCMZOAFFKUJJHN-XTDBVNKWSA-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]amino]heptanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 485314