insulin aspart

Chemical data

Formula

C256H381N65O79S6

Molecular weight

5826 g/mol

IUPAC name

(4S)-5-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-6-amino-1-[(1S,2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxyhexan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxybutan-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-5-carbamimidamido-1-hydroxypentan-2-yl]imino-4-[[2-[[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-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]-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-77-[(2S)-butan-2-yl]-24,56-bis(2-carboxyethyl)-47-[N-[(1S)-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-[(1R)-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-hydroxypentanoic acid

SMILES

CC[C@H](C)[C@H]1C(=N[C@H]2CSSC[C@@H](C(=N[C@@H](CSSC[C@@H](C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@@H](CSSC[C@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](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(=N[C@@H](CC(=N)O)C(=O)O)O)C(=NCC(=N[C@@H](CCC(=O)O)C(=N[C@@H](CCCNC(=N)N)C(=NCC(=N[C@@H](CC5=CC=CC=C5)C(=N[C@@H](CC6=CC=CC=C6)C(=N[C@@H](CC7=CC=C(C=C7)O)C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCCCN)C(=N[C@@H]([C@@H](C)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)C(C)C)O)CC(C)C)O)CC8=CC=C(C=C8)O)O)CC(C)C)O)C)O)CCC(=O)O)O)C(C)C)O)CC(C)C)O)CC9=CN=CN9)O)CO)O)O)N=C([C@H](CC(C)C)N=C([C@H](CC2=CN=CN2)N=C([C@H](CCC(=N)O)N=C([C@H](CC(=N)O)N=C([C@H](C(C)C)N=C([C@H](CC2=CC=CC=C2)N)O)O)O)O)O)O)C(=N[C@H](C(=N[C@H](C(=N1)O)CO)O)[C@@H](C)O)O)O)N=C([C@H](CCC(=N)O)N=C([C@H](CCC(=O)O)N=C([C@H](C(C)C)N=C([C@H]([C@@H](C)CC)N=C(CN)O)O)O)O)O)O

InChIKey

WEDIKSVWBUKTRA-WTKGVUNUSA-N

XLogP

10.8

Polar surface area

2670 Ų

H-bond donors

86

H-bond acceptors

146

Formal charge

0

via PubChem

• Insulin aspart.Drugs · 1999
• Faster Insulin Aspart: A New Bolus Option for Diabetes Mellitus.Clinical pharmacokinetics · 2019
• Fast-Acting Insulin Aspart: A Review of its Pharmacokinetic and Pharmacodynamic Properties and the Clinical Consequences.Clinical pharmacokinetics · 2020
• [Insulin aspart(NN-X14)].Nihon rinsho. Japanese journal of clinical medicine · 2001
• Pharmacological Properties of Faster-Acting Insulin Aspart.Current diabetes reports · 2017

via PubMed