Fyicfvfdqkeedd

Structural Information

Molecular Formula

C₈₃H₁₁₂N₁₆O₂₇S

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](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](CC4=CC=CC=C4)N

InChI

InChI=1S/C83H112N16O27S/c1-5-44(4)69(99-79(121)56(38-48-24-26-49(100)27-25-48)91-70(112)50(85)35-45-17-9-6-10-18-45)82(124)97-61(42-127)80(122)92-57(37-47-21-13-8-14-22-47)78(120)98-68(43(2)3)81(123)95-55(36-46-19-11-7-12-20-46)75(117)94-58(39-65(106)107)76(118)90-52(28-31-62(86)101)72(114)87-51(23-15-16-34-84)71(113)88-53(29-32-63(102)103)73(115)89-54(30-33-64(104)105)74(116)93-59(40-66(108)109)77(119)96-60(83(125)126)41-67(110)111/h6-14,17-22,24-27,43-44,50-61,68-69,100,127H,5,15-16,23,28-42,84-85H2,1-4H3,(H2,86,101)(H,87,114)(H,88,113)(H,89,115)(H,90,118)(H,91,112)(H,92,122)(H,93,116)(H,94,117)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,121)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,125,126)/t44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-/m0/s1

InChIKey

VXJIEYMDSNVNGN-KSJRVUAKSA-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)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130250