(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₇₇H₁₃₁N₂₁O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C77H131N21O18/c1-15-42(11)61(95-59(102)37-86-66(105)55(35-46-36-85-49-23-18-17-22-47(46)49)93-72(111)60(41(9)10)96-75(114)63(45(14)99)98-65(104)48(79)32-38(3)4)73(112)91-50(24-19-20-30-78)68(107)89-53(27-29-58(81)101)69(108)92-54(33-39(5)6)71(110)90-52(26-28-57(80)100)67(106)87-44(13)64(103)88-51(25-21-31-84-77(82)83)70(109)97-62(43(12)16-2)74(113)94-56(76(115)116)34-40(7)8/h17-18,22-23,36,38-45,48,50-56,60-63,85,99H,15-16,19-21,24-35,37,78-79H2,1-14H3,(H2,80,100)(H2,81,101)(H,86,105)(H,87,106)(H,88,103)(H,89,107)(H,90,110)(H,91,112)(H,92,108)(H,93,111)(H,94,113)(H,95,102)(H,96,114)(H,97,109)(H,98,104)(H,115,116)(H4,82,83,84)/t42-,43-,44-,45+,48-,50-,51-,52-,53-,54-,55-,56-,60-,61-,62-,63-/m0/s1

InChIKey

AISMBZNQEJOQRZ-IENKRFPRSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591812