(2s)-2-[[(2s)-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-methylbutanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₇₆H₁₂₉N₂₁O₁₈

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(C)C)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/C76H129N21O18/c1-15-42(12)61(94-58(101)36-85-65(104)54(34-45-35-84-48-22-17-16-21-46(45)48)92-71(110)60(41(10)11)96-74(113)62(44(14)98)97-64(103)47(78)31-37(2)3)73(112)90-49(23-18-19-29-77)67(106)88-52(26-28-57(80)100)68(107)91-53(32-38(4)5)70(109)89-51(25-27-56(79)99)66(105)86-43(13)63(102)87-50(24-20-30-83-76(81)82)69(108)95-59(40(8)9)72(111)93-55(75(114)115)33-39(6)7/h16-17,21-22,35,37-44,47,49-55,59-62,84,98H,15,18-20,23-34,36,77-78H2,1-14H3,(H2,79,99)(H2,80,100)(H,85,104)(H,86,105)(H,87,102)(H,88,106)(H,89,109)(H,90,112)(H,91,107)(H,92,110)(H,93,111)(H,94,101)(H,95,108)(H,96,113)(H,97,103)(H,114,115)(H4,81,82,83)/t42-,43-,44+,47-,49-,50-,51-,52-,53-,54-,55-,59-,60-,61-,62-/m0/s1

InChIKey

GDTAXXFEKRDVOE-NOKDEXRXSA-N

Compound name

(2S)-2-[[(2S)-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-methylbutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71588098