Ryicrcicgrgicrcicg

Structural Information

Molecular Formula

C₈₁H₁₄₂N₃₀O₂₀S₆

SMILES

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

InChI

InChI=1S/C81H142N30O20S6/c1-9-39(5)59(74(128)106-52(35-134)70(124)99-47(19-15-27-93-80(87)88)67(121)102-55(38-137)73(127)111-62(42(8)12-4)76(130)105-51(34-133)66(120)97-32-58(115)116)108-57(114)31-95-64(118)46(18-14-26-92-79(85)86)98-56(113)30-96-65(119)50(33-132)104-75(129)61(41(7)11-3)110-72(126)54(37-136)103-68(122)48(20-16-28-94-81(89)90)100-71(125)53(36-135)107-77(131)60(40(6)10-2)109-69(123)49(29-43-21-23-44(112)24-22-43)101-63(117)45(82)17-13-25-91-78(83)84/h21-24,39-42,45-55,59-62,112,132-137H,9-20,25-38,82H2,1-8H3,(H,95,118)(H,96,119)(H,97,120)(H,98,113)(H,99,124)(H,100,125)(H,101,117)(H,102,121)(H,103,122)(H,104,129)(H,105,130)(H,106,128)(H,107,131)(H,108,114)(H,109,123)(H,110,126)(H,111,127)(H,115,116)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t39-,40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-,61-,62-/m0/s1

InChIKey

ZKOBVZAZZCFWRD-BWUQDYJZSA-N

Compound name

2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid

Related CIDs

• CID 16133595