Kvkftarrgwgrqmkk

Structural Information

Molecular Formula

C₈₈H₁₄₉N₃₁O₁₉S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C88H149N31O19S/c1-49(2)70(118-73(125)55(93)25-11-15-36-89)83(135)115-60(28-13-17-38-91)79(131)117-65(44-52-22-7-6-8-23-52)82(134)119-71(51(4)120)84(136)107-50(3)72(124)110-61(32-21-42-103-88(99)100)77(129)111-57(30-19-40-101-86(95)96)74(126)105-48-69(123)109-66(45-53-46-104-56-26-10-9-24-54(53)56)75(127)106-47-68(122)108-58(31-20-41-102-87(97)98)76(128)113-62(33-34-67(94)121)80(132)114-63(35-43-139-5)81(133)112-59(27-12-16-37-90)78(130)116-64(85(137)138)29-14-18-39-92/h6-10,22-24,26,46,49-51,55,57-66,70-71,104,120H,11-21,25,27-45,47-48,89-93H2,1-5H3,(H2,94,121)(H,105,126)(H,106,127)(H,107,136)(H,108,122)(H,109,123)(H,110,124)(H,111,129)(H,112,133)(H,113,128)(H,114,132)(H,115,135)(H,116,130)(H,117,131)(H,118,125)(H,119,134)(H,137,138)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/t50-,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-/m0/s1

InChIKey

ZZQHBXDOZJZFMK-WBXIEBGRSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71595994