2-[[(2S)-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl decanoate

Systemtic Name: 2-[[(2S)-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl decanoate Openeye Name: 2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl decanoate CAS Name: decanoic acid 2-[[(2S)-2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl decanoate Traditional Name: capric acid 2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl ester Formula: C21H37N5O4 MolecularWeight: 423.54958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCNC(=O)C(CC1=CN=CN1)NC(=O)CCN

Isomeric SMILES

CCCCCCCCCC(=O)OCCNC(=O)[C@H](CC1=CN=CN1)NC(=O)CCN

InChI

InChI=1S/C21H37N5O4/c1-2-3-4-5-6-7-8-9-20(28)30-13-12-24-21(29)18(26-19(27)10-11-22)14-17-15-23-16-25-17/h15-16,18H,2-14,22H2,1H3,(H,23,25)(H,24,29)(H,26,27)/t18-/m0/s1