Lacripep

Structural Information

Molecular Formula

C₁₀₆H₁₆₇N₂₇O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)C

InChI

InChI=1S/C106H167N27O29/c1-9-60(6)88(133-104(160)78(53-65-31-17-12-18-32-65)130-97(153)71(38-42-83(112)138)123-92(148)66(117-62(8)136)33-19-23-45-107)106(162)125-73(40-44-87(143)144)99(155)131-79(54-84(113)139)91(147)115-55-85(140)118-81(57-135)105(161)124-72(39-43-86(141)142)98(154)128-76(51-63-27-13-10-14-28-63)100(156)116-61(7)90(146)119-70(37-41-82(111)137)96(152)121-68(35-21-25-47-109)94(150)126-75(50-59(4)5)102(158)127-74(49-58(2)3)101(157)122-67(34-20-24-46-108)93(149)120-69(36-22-26-48-110)95(151)129-77(52-64-29-15-11-16-30-64)103(159)132-80(56-134)89(114)145/h10-18,27-32,58-61,66-81,88,134-135H,9,19-26,33-57,107-110H2,1-8H3,(H2,111,137)(H2,112,138)(H2,113,139)(H2,114,145)(H,115,147)(H,116,156)(H,117,136)(H,118,140)(H,119,146)(H,120,149)(H,121,152)(H,122,157)(H,123,148)(H,124,161)(H,125,162)(H,126,150)(H,127,158)(H,128,154)(H,129,151)(H,130,153)(H,131,155)(H,132,159)(H,133,160)(H,141,142)(H,143,144)/t60-,61-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,88-/m0/s1

InChIKey

LQIGMWPYUDATJX-GKKSKUFBSA-N

Compound name

(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 137528261