Tyicevffqkeedd

Structural Information

Molecular Formula

C₇₉H₁₁₂N₁₆O₂₈S

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]([C@@H](C)O)N

InChI

InChI=1S/C79H112N16O28S/c1-6-40(4)65(95-74(117)53(90-76(119)63(82)41(5)96)35-44-20-22-45(97)23-21-44)78(121)93-56(38-124)75(118)87-50(27-31-60(103)104)70(113)94-64(39(2)3)77(120)91-52(34-43-17-11-8-12-18-43)72(115)88-51(33-42-15-9-7-10-16-42)71(114)86-47(24-28-57(81)98)67(110)83-46(19-13-14-32-80)66(109)84-48(25-29-58(99)100)68(111)85-49(26-30-59(101)102)69(112)89-54(36-61(105)106)73(116)92-55(79(122)123)37-62(107)108/h7-12,15-18,20-23,39-41,46-56,63-65,96-97,124H,6,13-14,19,24-38,80,82H2,1-5H3,(H2,81,98)(H,83,110)(H,84,109)(H,85,111)(H,86,114)(H,87,118)(H,88,115)(H,89,112)(H,90,119)(H,91,120)(H,92,116)(H,93,121)(H,94,113)(H,95,117)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,122,123)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-,64-,65-/m0/s1

InChIKey

GJHKTXUSRQAXFL-WVSLOPPASA-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]-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 16130253