Kgvslsyrccryslsvgk

Structural Information

Molecular Formula

C₈₆H₁₄₄N₂₆O₂₅S₂

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C86H144N26O25S2/c1-43(2)31-55(102-78(130)61(39-115)108-83(135)68(46(7)8)111-66(120)36-96-69(121)51(89)15-9-11-27-87)72(124)105-60(38-114)77(129)104-57(33-47-19-23-49(117)24-20-47)74(126)99-53(18-14-30-95-86(92)93)71(123)109-64(42-139)81(133)110-63(41-138)80(132)100-52(17-13-29-94-85(90)91)70(122)103-58(34-48-21-25-50(118)26-22-48)75(127)106-59(37-113)76(128)101-56(32-44(3)4)73(125)107-62(40-116)79(131)112-67(45(5)6)82(134)97-35-65(119)98-54(84(136)137)16-10-12-28-88/h19-26,43-46,51-64,67-68,113-118,138-139H,9-18,27-42,87-89H2,1-8H3,(H,96,121)(H,97,134)(H,98,119)(H,99,126)(H,100,132)(H,101,128)(H,102,130)(H,103,122)(H,104,129)(H,105,124)(H,106,127)(H,107,125)(H,108,135)(H,109,123)(H,110,133)(H,111,120)(H,112,131)(H,136,137)(H4,90,91,94)(H4,92,93,95)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1

InChIKey

GCFHQOMHWHIBGZ-RPVJFWKBSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2R)-2-[[(2R)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16133598