Iwqyvcnffvicfnvlka

Structural Information

Molecular Formula

C₁₀₈H₁₅₅N₂₃O₂₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC6=CC=CC=C6)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](C)C(=O)O)N

InChI

InChI=1S/C108H155N23O23S2/c1-14-60(11)86(113)103(148)124-78(50-67-53-114-70-36-26-25-35-69(67)70)96(141)117-72(42-43-83(110)133)92(137)118-77(49-66-38-40-68(132)41-39-66)99(144)128-88(58(7)8)105(150)126-81(54-155)102(147)123-79(51-84(111)134)97(142)119-74(46-63-29-19-16-20-30-63)94(139)120-76(48-65-33-23-18-24-34-65)98(143)130-89(59(9)10)106(151)131-90(61(12)15-2)107(152)127-82(55-156)101(146)121-75(47-64-31-21-17-22-32-64)95(140)122-80(52-85(112)135)100(145)129-87(57(5)6)104(149)125-73(45-56(3)4)93(138)116-71(37-27-28-44-109)91(136)115-62(13)108(153)154/h16-26,29-36,38-41,53,56-62,71-82,86-90,114,132,155-156H,14-15,27-28,37,42-52,54-55,109,113H2,1-13H3,(H2,110,133)(H2,111,134)(H2,112,135)(H,115,136)(H,116,138)(H,117,141)(H,118,137)(H,119,142)(H,120,139)(H,121,146)(H,122,140)(H,123,147)(H,124,148)(H,125,149)(H,126,150)(H,127,152)(H,128,144)(H,129,145)(H,130,143)(H,131,151)(H,153,154)/t60-,61-,62-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-,90-/m0/s1

InChIKey

VOWCXSYDBWCCCF-QIBOXNKSSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 71597263