Gvidaakkvvnvlknlf-(nh2)

Structural Information

Molecular Formula

C₈₆H₁₃₉N₂₃O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CN

InChI

InChI=1S/C86H139N23O20/c1-13-48(10)71(109-85(128)69(46(6)7)107-67(112)42-90)86(129)106-64(41-68(113)114)78(121)96-49(11)73(116)95-50(12)74(117)97-55(29-19-22-32-87)75(118)98-56(30-20-23-33-88)76(119)102-61(38-52-43-94-54-28-18-17-27-53(52)54)81(124)104-63(40-66(92)111)83(126)108-70(47(8)9)84(127)105-60(36-45(4)5)79(122)99-57(31-21-24-34-89)77(120)103-62(39-65(91)110)82(125)101-59(35-44(2)3)80(123)100-58(72(93)115)37-51-25-15-14-16-26-51/h14-18,25-28,43-50,55-64,69-71,94H,13,19-24,29-42,87-90H2,1-12H3,(H2,91,110)(H2,92,111)(H2,93,115)(H,95,116)(H,96,121)(H,97,117)(H,98,118)(H,99,122)(H,100,123)(H,101,125)(H,102,119)(H,103,120)(H,104,124)(H,105,127)(H,106,129)(H,107,112)(H,108,126)(H,109,128)(H,113,114)/t48-,49-,50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1

InChIKey

NMYWNRXIMLMQEQ-LNZTUMAESA-N

Compound name

(3S)-3-[[(2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16134115