Tyiffvedqkeedd

Structural Information

Molecular Formula

C₈₀H₁₁₂N₁₆O₃₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C80H112N16O30/c1-6-40(4)66(96-76(121)53(92-77(122)64(83)41(5)97)35-44-20-22-45(98)23-21-44)79(124)93-51(33-42-15-9-7-10-16-42)72(117)89-52(34-43-17-11-8-12-18-43)75(120)95-65(39(2)3)78(123)88-50(27-31-60(104)105)71(116)90-54(36-61(106)107)73(118)87-47(24-28-57(82)99)68(113)84-46(19-13-14-32-81)67(112)85-48(25-29-58(100)101)69(114)86-49(26-30-59(102)103)70(115)91-55(37-62(108)109)74(119)94-56(80(125)126)38-63(110)111/h7-12,15-18,20-23,39-41,46-56,64-66,97-98H,6,13-14,19,24-38,81,83H2,1-5H3,(H2,82,99)(H,84,113)(H,85,112)(H,86,114)(H,87,118)(H,88,123)(H,89,117)(H,90,116)(H,91,115)(H,92,122)(H,93,124)(H,94,119)(H,95,120)(H,96,121)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,125,126)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-/m0/s1

InChIKey

RMAIDEHFQAYUPG-BOOJGJCYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130165