ethyl 2-[1-[(2R)-6-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]hexanoyl]piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(2R)-6-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]hexanoyl]piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[1-[(2R)-6-amino-2-[(4-carbamimidoylbenzoyl)amino]hexanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[(2R)-6-amino-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxohexyl]-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2R)-6-amino-2-[(4-carbamimidoylbenzoyl)amino]hexanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[(2R)-2-[(4-amidinobenzoyl)amino]-6-amino-hexanoyl]-4-piperidyl]acetic acid ethyl ester Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCN(CC1)C(=O)C(CCCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H35N5O4/c1-2-32-20(29)15-16-10-13-28(14-11-16)23(31)19(5-3-4-12-24)27-22(30)18-8-6-17(7-9-18)21(25)26/h6-9,16,19H,2-5,10-15,24H2,1H3,(H3,25,26)(H,27,30)/t19-/m1/s1