ethanoic acid; ethyl 6-[(3S)-1-carbamimidoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]oxyhexanoate

Systemtic Name: ethanoic acid; ethyl 6-[(3S)-1-carbamimidoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]oxyhexanoate Openeye Name: acetic acid; ethyl 6-[[(3S)-3-(tert-butoxycarbonylamino)-1-carbamimidoyl-2-piperidyl]oxy]hexanoate CAS Name: acetic acid; 6-[[(3S)-1-carbamimidoyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-piperidinyl]oxy]hexanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 6-[(3S)-1-carbamimidoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]oxyhexanoate Traditional Name: acetic acid; 6-[[(3S)-1-amidino-3-(tert-butoxycarbonylamino)-2-piperidyl]oxy]hexanoic acid ethyl ester Formula: C21H40N4O7 MolecularWeight: 460.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1C(CCCN1C(=N)N)NC(=O)OC(C)(C)C.CC(=O)O

Isomeric SMILES

CCOC(=O)CCCCCOC1[C@H](CCCN1C(=N)N)NC(=O)OC(C)(C)C.CC(=O)O

InChI

InChI=1S/C19H36N4O5.C2H4O2/c1-5-26-15(24)11-7-6-8-13-27-16-14(10-9-12-23(16)17(20)21)22-18(25)28-19(2,3)4;1-2(3)4/h14,16H,5-13H2,1-4H3,(H3,20,21)(H,22,25);1H3,(H,3,4)/t14-,16?;/m0./s1