Dlkekkevveeaen

Structural Information

Molecular Formula

C₇₀H₁₁₈N₁₈O₂₈

SMILES

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

InChI

InChI=1S/C70H118N18O28/c1-33(2)30-46(85-58(103)37(74)31-54(100)101)67(112)80-40(16-10-13-29-73)62(107)82-43(19-24-51(94)95)63(108)79-38(14-8-11-27-71)60(105)78-39(15-9-12-28-72)61(106)83-45(21-26-53(98)99)66(111)87-56(35(5)6)69(114)88-55(34(3)4)68(113)84-44(20-25-52(96)97)64(109)81-41(17-22-49(90)91)59(104)76-36(7)57(102)77-42(18-23-50(92)93)65(110)86-47(70(115)116)32-48(75)89/h33-47,55-56H,8-32,71-74H2,1-7H3,(H2,75,89)(H,76,104)(H,77,102)(H,78,105)(H,79,108)(H,80,112)(H,81,109)(H,82,107)(H,83,106)(H,84,113)(H,85,103)(H,86,110)(H,87,111)(H,88,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,115,116)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-,56-/m0/s1

InChIKey

RONTULSTJWDOAD-YGWDTKFKSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197482