Tyifevefqkeedd

Structural Information

Molecular Formula

C₈₁H₁₁₄N₁₆O₃₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)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/C81H114N16O30/c1-6-41(4)67(97-77(122)55(93-78(123)65(84)42(5)98)37-45-20-22-46(99)23-21-45)80(125)94-54(36-44-17-11-8-12-18-44)75(120)89-52(28-33-62(107)108)73(118)96-66(40(2)3)79(124)90-51(27-32-61(105)106)72(117)91-53(35-43-15-9-7-10-16-43)74(119)88-48(24-29-58(83)100)69(114)85-47(19-13-14-34-82)68(113)86-49(25-30-59(101)102)70(115)87-50(26-31-60(103)104)71(116)92-56(38-63(109)110)76(121)95-57(81(126)127)39-64(111)112/h7-12,15-18,20-23,40-42,47-57,65-67,98-99H,6,13-14,19,24-39,82,84H2,1-5H3,(H2,83,100)(H,85,114)(H,86,113)(H,87,115)(H,88,119)(H,89,120)(H,90,124)(H,91,117)(H,92,116)(H,93,123)(H,94,125)(H,95,121)(H,96,118)(H,97,122)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,126,127)/t41-,42+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,65-,66-,67-/m0/s1

InChIKey

IYVLYVCTXLTYIU-DJESKQMLSA-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]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130265