[(2S)-3-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-oxidanylidene-propyl] octanoate

Systemtic Name: [(2S)-3-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-oxidanylidene-propyl] octanoate Openeye Name: [(2S)-3-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]-3-oxo-propyl] octanoate CAS Name: octanoic acid [(2S)-3-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-oxopropyl] ester IUPAC Name: [(2S)-3-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-oxopropyl] octanoate Traditional Name: caprylic acid [(2S)-3-amino-2-[[(2S)-2-(glycylamino)-3-hydroxy-propanoyl]amino]-3-keto-propyl] ester Formula: C16H30N4O6 MolecularWeight: 374.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C(=O)N)NC(=O)C(CO)NC(=O)CN

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)CN

InChI

InChI=1S/C16H30N4O6/c1-2-3-4-5-6-7-14(23)26-10-12(15(18)24)20-16(25)11(9-21)19-13(22)8-17/h11-12,21H,2-10,17H2,1H3,(H2,18,24)(H,19,22)(H,20,25)/t11-,12-/m0/s1