Kgacdykewqwlcaa

Structural Information

Molecular Formula

C₈₀H₁₁₄N₂₀O₂₂S₂

SMILES

C[C@H](C(=O)N[C@H](CS)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CS)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)NC(=O)CNC(=O)[C@@H](CCCCN)N

InChI

InChI=1S/C80H114N20O22S2/c1-40(2)30-56(73(114)100-61(38-123)78(119)89-42(4)67(108)90-43(5)80(121)122)94-76(117)59(33-46-36-86-52-18-9-7-15-49(46)52)97-71(112)54(24-26-63(84)102)93-75(116)58(32-45-35-85-51-17-8-6-14-48(45)51)96-72(113)55(25-27-65(104)105)92-70(111)53(19-11-13-29-82)91-74(115)57(31-44-20-22-47(101)23-21-44)95-77(118)60(34-66(106)107)98-79(120)62(39-124)99-68(109)41(3)88-64(103)37-87-69(110)50(83)16-10-12-28-81/h6-9,14-15,17-18,20-23,35-36,40-43,50,53-62,85-86,101,123-124H,10-13,16,19,24-34,37-39,81-83H2,1-5H3,(H2,84,102)(H,87,110)(H,88,103)(H,89,119)(H,90,108)(H,91,115)(H,92,111)(H,93,116)(H,94,117)(H,95,118)(H,96,113)(H,97,112)(H,98,120)(H,99,109)(H,100,114)(H,104,105)(H,106,107)(H,121,122)/t41-,42-,43-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1

InChIKey

SAEZFMJPMJDISZ-GVCNIIFKSA-N

Compound name

(4R)-4-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[2-[[(2R)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49771396