(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s,3r)-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]-3-hydroxybutanoyl]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

C₇₅H₁₂₆N₂₀O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)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/C75H126N20O19/c1-16-39(11)58(91-56(100)34-83-64(103)52(32-44-33-82-47-22-19-18-21-45(44)47)89-69(108)57(38(9)10)92-73(112)61(43(15)97)94-63(102)46(76)29-35(3)4)71(110)95-60(42(14)96)72(111)87-50(25-27-55(78)99)66(105)88-51(30-36(5)6)68(107)86-49(24-26-54(77)98)65(104)84-41(13)62(101)85-48(23-20-28-81-75(79)80)67(106)93-59(40(12)17-2)70(109)90-53(74(113)114)31-37(7)8/h18-19,21-22,33,35-43,46,48-53,57-61,82,96-97H,16-17,20,23-32,34,76H2,1-15H3,(H2,77,98)(H2,78,99)(H,83,103)(H,84,104)(H,85,101)(H,86,107)(H,87,111)(H,88,105)(H,89,108)(H,90,109)(H,91,100)(H,92,112)(H,93,106)(H,94,102)(H,95,110)(H,113,114)(H4,79,80,81)/t39-,40-,41-,42+,43+,46-,48-,49-,50-,51-,52-,53-,57-,58-,59-,60-,61-/m0/s1

InChIKey

BHHKOPOVEQMTSJ-YSNXENJZSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-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]-3-hydroxybutanoyl]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 71591645