Kvkwtarrgwgrqmk

Structural Information

Molecular Formula

C₈₄H₁₃₈N₃₀O₁₈S

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)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C84H138N30O18S/c1-45(2)67(113-70(120)52(88)21-10-13-32-85)79(129)110-57(24-11-14-33-86)75(125)112-63(40-49-42-100-54-23-9-7-20-51(49)54)78(128)114-68(47(4)115)80(130)103-46(3)69(119)106-58(28-18-37-98-84(94)95)74(124)107-55(26-16-35-96-82(90)91)71(121)101-44-66(118)105-62(39-48-41-99-53-22-8-6-19-50(48)53)72(122)102-43-65(117)104-56(27-17-36-97-83(92)93)73(123)108-59(29-30-64(89)116)76(126)109-60(31-38-133-5)77(127)111-61(81(131)132)25-12-15-34-87/h6-9,19-20,22-23,41-42,45-47,52,55-63,67-68,99-100,115H,10-18,21,24-40,43-44,85-88H2,1-5H3,(H2,89,116)(H,101,121)(H,102,122)(H,103,130)(H,104,117)(H,105,118)(H,106,119)(H,107,124)(H,108,123)(H,109,126)(H,110,129)(H,111,127)(H,112,125)(H,113,120)(H,114,128)(H,131,132)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t46-,47+,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,67-,68-/m0/s1

InChIKey

DAJSMCVLTAATIB-KSDBKMTBSA-N

Compound name

(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-(1H-indol-3-yl)propanoyl]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]hexanoic acid

Related CIDs

• CID 71596365