Insulin-glulisine
4-[[2-[[[6-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyhexylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-88-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-77-butan-2-yl-24,56-bis(2-carboxyethyl)-47-[N-(1-carboxy-3-hydroxy-3-iminopropyl)-C-hydroxycarbonimidoyl]-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosahydroxy-83-(1-hydroxyethyl)-53-(2-hydroxy-2-iminoethyl)-62-(3-hydroxy-3-iminopropyl)-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononaconta-7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosaen-42-yl]-hydroxymethylidene]amino]-1-hydroxyethylidene]amino]-5-[5-carbamimidamido-1-[2-[1-[1-[1-[1-[2-[N-[4-carboxy-1-(1-carboxy-2-hydroxypropyl)imino-1-hydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid
Molecular Identity
Insulin-glulisine
4-[[2-[[[6-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyhexylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-88-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-77-butan-2-yl-24,56-bis(2-carboxyethyl)-47-[N-(1-carboxy-3-hydroxy-3-iminopropyl)-C-hydroxycarbonimidoyl]-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosahydroxy-83-(1-hydroxyethyl)-53-(2-hydroxy-2-iminoethyl)-62-(3-hydroxy-3-iminopropyl)-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononaconta-7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosaen-42-yl]-hydroxymethylidene]amino]-1-hydroxyethylidene]amino]-5-[5-carbamimidamido-1-[2-[1-[1-[1-[1-[2-[N-[4-carboxy-1-(1-carboxy-2-hydroxypropyl)imino-1-hydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid
PubChem CID: 168324398
2D Structure
Properties
C258H384N64O78S6
Molecular Formula
5823.00
Molecular Weight
g/mol
5820.6440
Exact Mass
Da
11.7
XLogP
Above Lipinski threshold
2620
TPSA
May have limited oral absorption
83
H-Bond Donors
143
H-Bond Acceptors
15600
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C1C(=NC2CSSCC(C(=NC(CSSCC(C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(CSSCC(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C2O)CO)O)CC(C)C)O)CC3=CC=C(C=C3)O)O)CCC(=N)O)O)CC(C)C)O)CCC(=O)O)O)CC(=N)O)O)CC4=CC=C(C=C4)O)O)C(=NC(CC(=N)O)C(=O)O)O)C(=NCC(=NC(CCC(=O)O)C(=NC(CCCNC(=N)N)C(=NCC(=NC(CC5=CC=CC=C5)C(=NC(CC6=CC=CC=C6)C(=NC(CC7=CC=C(C=C7)O)C(=NC(C(C)O)C(=O)N8CCCC8C(=NC(CCC(=O)O)C(=NC(C(C)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(C)C)O)CC(C)C)O)CC9=CC=C(C=C9)O)O)CC(C)C)O)C)O)CCC(=O)O)O)C(C)C)O)CC(C)C)O)CC2=CN=CN2)O)CO)O)O)N=C(C(CC(C)C)N=C(C(CC2=CN=CN2)N=C(C(CCC(=N)O)N=C(C(CCCCN)N=C(C(C(C)C)N=C(C(CC2=CC=CC=C2)N)O)O)O)O)O)O)C(=NC(C(=NC(C(=N1)O)CO)O)C(C)O)O)O)N=C(C(CCC(=N)O)N=C(C(CCC(=O)O)N=C(C(C(C)C)N=C(C(C(C)CC)N=C(CN)O)O)O)O)O)OIsomeric SMILES
SMILES: CCC(C)C1C(=NC2CSSCC(C(=NC(CSSCC(C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(CSSCC(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C2O)CO)O)CC(C)C)O)CC3=CC=C(C=C3)O)O)CCC(=N)O)O)CC(C)C)O)CCC(=O)O)O)CC(=N)O)O)CC4=CC=C(C=C4)O)O)C(=NC(CC(=N)O)C(=O)O)O)C(=NCC(=NC(CCC(=O)O)C(=NC(CCCNC(=N)N)C(=NCC(=NC(CC5=CC=CC=C5)C(=NC(CC6=CC=CC=C6)C(=NC(CC7=CC=C(C=C7)O)C(=NC(C(C)O)C(=O)N8CCCC8C(=NC(CCC(=O)O)C(=NC(C(C)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(C)C)O)CC(C)C)O)CC9=CC=C(C=C9)O)O)CC(C)C)O)C)O)CCC(=O)O)O)C(C)C)O)CC(C)C)O)CC2=CN=CN2)O)CO)O)O)N=C(C(CC(C)C)N=C(C(CC2=CN=CN2)N=C(C(CCC(=N)O)N=C(C(CCCCN)N=C(C(C(C)C)N=C(C(CC2=CC=CC=C2)N)O)O)O)O)O)O)C(=NC(C(=NC(C(=N1)O)CO)O)C(C)O)O)O)N=C(C(CCC(=N)O)N=C(C(CCC(=O)O)N=C(C(C(C)C)N=C(C(C(C)CC)N=C(CN)O)O)O)O)O)OSynonyms(1)
Insulin-glulisine
Data from PubChem (NCBI)
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