Fyicevefqkeedd

Structural Information

Molecular Formula

C₈₀H₁₁₂N₁₆O₂₉S

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

InChI

InChI=1S/C80H112N16O29S/c1-5-41(4)66(96-76(120)54(36-44-19-21-45(97)22-20-44)90-67(111)46(82)34-42-14-8-6-9-15-42)79(123)94-57(39-126)77(121)88-52(27-32-62(105)106)73(117)95-65(40(2)3)78(122)89-51(26-31-61(103)104)72(116)91-53(35-43-16-10-7-11-17-43)74(118)87-48(23-28-58(83)98)69(113)84-47(18-12-13-33-81)68(112)85-49(24-29-59(99)100)70(114)86-50(25-30-60(101)102)71(115)92-55(37-63(107)108)75(119)93-56(80(124)125)38-64(109)110/h6-11,14-17,19-22,40-41,46-57,65-66,97,126H,5,12-13,18,23-39,81-82H2,1-4H3,(H2,83,98)(H,84,113)(H,85,112)(H,86,114)(H,87,118)(H,88,121)(H,89,122)(H,90,111)(H,91,116)(H,92,115)(H,93,119)(H,94,123)(H,95,117)(H,96,120)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,124,125)/t41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,65-,66-/m0/s1

InChIKey

FCDREZWYXKBGIN-GDTQQLDXSA-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]-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 16130254