Chembl437087

Structural Information

Molecular Formula

C₈₆H₁₅₃N₂₃O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C86H153N23O17/c1-46(2)40-64(103-72(112)51(11)92)82(122)105-68(44-56-45-94-58-29-17-16-28-57(56)58)84(124)102-63(34-22-27-39-91)79(119)109-70(55(15)110)86(126)107-67(43-49(7)8)83(123)104-65(41-47(3)4)80(120)101-61(32-20-25-37-89)77(117)99-62(33-21-26-38-90)78(118)108-69(50(9)10)85(125)106-66(42-48(5)6)81(121)100-60(31-19-24-36-88)76(116)97-53(13)74(114)95-52(12)73(113)96-54(14)75(115)98-59(71(93)111)30-18-23-35-87/h16-17,28-29,45-55,59-70,94,110H,18-27,30-44,87-92H2,1-15H3,(H2,93,111)(H,95,114)(H,96,113)(H,97,116)(H,98,115)(H,99,117)(H,100,121)(H,101,120)(H,102,124)(H,103,112)(H,104,123)(H,105,122)(H,106,125)(H,107,126)(H,108,118)(H,109,119)/t51-,52-,53-,54-,55+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1

InChIKey

RKEJNKQBMBVAOZ-JGIYVRPSSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide

Related CIDs

• CID 6320909