Ny-eso-1

Structural Information

Molecular Formula

C₈₃H₁₂₄N₁₆O₁₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C83H124N16O18S2/c1-13-48(10)68(97-76(109)61(40-52-41-86-55-28-21-20-27-53(52)55)92-72(105)57(32-34-119-12)87-73(106)59(36-45(4)5)90-74(107)58(35-44(2)3)89-70(103)54(84)42-100)80(113)98-69(49(11)101)81(114)88-56(30-31-66(85)102)71(104)95-64(43-118)77(110)91-60(38-50-23-16-14-17-24-50)75(108)93-62(37-46(6)7)82(115)99-33-22-29-65(99)78(111)96-67(47(8)9)79(112)94-63(83(116)117)39-51-25-18-15-19-26-51/h14-21,23-28,41,44-49,54,56-65,67-69,86,100-101,118H,13,22,29-40,42-43,84H2,1-12H3,(H2,85,102)(H,87,106)(H,88,114)(H,89,103)(H,90,107)(H,91,110)(H,92,105)(H,93,108)(H,94,112)(H,95,104)(H,96,111)(H,97,109)(H,98,113)(H,116,117)/t48-,49?,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-/m0/s1

InChIKey

SWMCSRIUJLTUKL-FHUPKDODSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 146014907