Tyicfvffqkeedd

Structural Information

Molecular Formula

C₈₃H₁₁₄N₁₆O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)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](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C83H114N16O26S/c1-6-44(4)69(99-78(119)58(94-80(121)67(86)45(5)100)39-49-25-27-50(101)28-26-49)82(123)97-61(42-126)79(120)92-57(38-48-22-14-9-15-23-48)77(118)98-68(43(2)3)81(122)95-56(37-47-20-12-8-13-21-47)75(116)91-55(36-46-18-10-7-11-19-46)74(115)90-52(29-32-62(85)102)71(112)87-51(24-16-17-35-84)70(111)88-53(30-33-63(103)104)72(113)89-54(31-34-64(105)106)73(114)93-59(40-65(107)108)76(117)96-60(83(124)125)41-66(109)110/h7-15,18-23,25-28,43-45,51-61,67-69,100-101,126H,6,16-17,24,29-42,84,86H2,1-5H3,(H2,85,102)(H,87,112)(H,88,111)(H,89,113)(H,90,115)(H,91,116)(H,92,120)(H,93,114)(H,94,121)(H,95,122)(H,96,117)(H,97,123)(H,98,118)(H,99,119)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,124,125)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,67-,68-,69-/m0/s1

InChIKey

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

Related CIDs

• CID 16130271