(l-)virip

Structural Information

Molecular Formula

C₁₀₆H₁₆₀N₂₂O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C106H160N22O26S/c1-11-61(7)86(123-88(135)63(9)111-89(136)67(109)42-44-82(131)132)104(151)127-51-28-40-79(127)98(145)113-70(46-53-155-10)91(138)120-76(58-129)96(143)124-87(62(8)12-2)105(152)128-52-29-41-80(128)103(150)126-50-27-39-78(126)97(144)112-69(43-45-83(133)134)92(139)121-84(59(3)4)100(147)114-68(36-22-24-47-107)90(137)116-72(54-64-30-16-13-17-31-64)93(140)117-74(57-81(110)130)94(141)115-71(37-23-25-48-108)102(149)125-49-26-38-77(125)99(146)118-73(55-65-32-18-14-19-33-65)95(142)122-85(60(5)6)101(148)119-75(106(153)154)56-66-34-20-15-21-35-66/h13-21,30-35,59-63,67-80,84-87,129H,11-12,22-29,36-58,107-109H2,1-10H3,(H2,110,130)(H,111,136)(H,112,144)(H,113,145)(H,114,147)(H,115,141)(H,116,137)(H,117,140)(H,118,146)(H,119,148)(H,120,138)(H,121,139)(H,122,142)(H,123,135)(H,124,143)(H,131,132)(H,133,134)(H,153,154)/t61-,62-,63-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-,86-,87-/m0/s1

InChIKey

GBJLFWLYNDJDJZ-MBGCKLTPSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16729383