(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-6-amino-2-[[(2s,3r)-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-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

Structural Information

Molecular Formula

C₇₂H₁₂₁N₂₁O₂₁

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)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)O

InChI

InChI=1S/C72H121N21O21/c1-32(2)26-42(74)59(101)91-57(38(11)96)70(112)90-53(34(5)6)66(108)87-48(28-40-30-80-43-19-14-13-18-41(40)43)60(102)81-31-52(100)88-55(36(9)94)68(110)83-44(20-15-16-24-73)61(103)86-49(29-51(76)99)65(107)85-47(27-33(3)4)64(106)82-46(22-23-50(75)98)63(105)92-56(37(10)95)69(111)84-45(21-17-25-79-72(77)78)62(104)89-54(35(7)8)67(109)93-58(39(12)97)71(113)114/h13-14,18-19,30,32-39,42,44-49,53-58,80,94-97H,15-17,20-29,31,73-74H2,1-12H3,(H2,75,98)(H2,76,99)(H,81,102)(H,82,106)(H,83,110)(H,84,111)(H,85,107)(H,86,103)(H,87,108)(H,88,100)(H,89,104)(H,90,112)(H,91,101)(H,92,105)(H,93,109)(H,113,114)(H4,77,78,79)/t36-,37-,38-,39-,42+,44+,45+,46+,47+,48+,49+,53+,54+,55+,56+,57+,58+/m1/s1

InChIKey

JMULRPWRGUGXLC-MERKUQAJSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-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-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71591750