Fyicevffqkeedd

Structural Information

Molecular Formula

C₈₄H₁₁₄N₁₆O₂₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)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](CC4=CC=CC=C4)N

InChI

InChI=1S/C84H114N16O27S/c1-5-45(4)70(100-80(122)59(40-49-24-26-50(101)27-25-49)93-71(113)51(86)37-46-17-9-6-10-18-46)83(125)98-62(43-128)81(123)92-56(31-35-66(107)108)76(118)99-69(44(2)3)82(124)96-58(39-48-21-13-8-14-22-48)78(120)94-57(38-47-19-11-7-12-20-47)77(119)91-53(28-32-63(87)102)73(115)88-52(23-15-16-36-85)72(114)89-54(29-33-64(103)104)74(116)90-55(30-34-65(105)106)75(117)95-60(41-67(109)110)79(121)97-61(84(126)127)42-68(111)112/h6-14,17-22,24-27,44-45,51-62,69-70,101,128H,5,15-16,23,28-43,85-86H2,1-4H3,(H2,87,102)(H,88,115)(H,89,114)(H,90,116)(H,91,119)(H,92,123)(H,93,113)(H,94,120)(H,95,117)(H,96,124)(H,97,121)(H,98,125)(H,99,118)(H,100,122)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,126,127)/t45-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1

InChIKey

YJRQINCGHXHNFU-BSJOFJFESA-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]-4-carboxybutanoyl]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 16130246