tert-butyl 2-[1-[(2R)-6-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]hexanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[(2R)-6-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]hexanoyl]piperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[(2R)-6-amino-2-[(4-carbamimidoylbenzoyl)amino]hexanoyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[(2R)-6-amino-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxohexyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2R)-6-amino-2-[(4-carbamimidoylbenzoyl)amino]hexanoyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[(2R)-2-[(4-amidinobenzoyl)amino]-6-amino-hexanoyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C25H39N5O5 MolecularWeight: 489.60766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)C(CCCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H39N5O5/c1-25(2,3)35-21(31)16-34-19-11-14-30(15-12-19)24(33)20(6-4-5-13-26)29-23(32)18-9-7-17(8-10-18)22(27)28/h7-10,19-20H,4-6,11-16,26H2,1-3H3,(H3,27,28)(H,29,32)/t20-/m1/s1