Gicrcicgryicrcicgr

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)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)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)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CN

InChI

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

MCZSVLAOFMATGT-BWUQDYJZSA-N

Compound name

(2S)-2-[[2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]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-carbamimidamidopentanoic acid

Related CIDs

• CID 16133594