Kkkklllpfyvff

Structural Information

Molecular Formula

C₈₈H₁₃₅N₁₇O₁₅

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C88H135N17O15/c1-54(2)47-67(97-79(110)66(36-21-25-45-92)96-78(109)65(35-20-24-44-91)95-77(108)64(34-19-23-43-90)94-76(107)63(93)33-18-22-42-89)80(111)98-68(48-55(3)4)81(112)102-72(49-56(5)6)87(118)105-46-26-37-74(105)85(116)100-69(50-58-27-12-9-13-28-58)82(113)99-71(52-61-38-40-62(106)41-39-61)84(115)104-75(57(7)8)86(117)101-70(51-59-29-14-10-15-30-59)83(114)103-73(88(119)120)53-60-31-16-11-17-32-60/h9-17,27-32,38-41,54-57,63-75,106H,18-26,33-37,42-53,89-93H2,1-8H3,(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H,98,111)(H,99,113)(H,100,116)(H,101,117)(H,102,112)(H,103,114)(H,104,115)(H,119,120)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1

InChIKey

IOUABDBCXZZTBL-VAFWHFHCSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16186486