4-(azepan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-3-[(phenylmethyl)carbamoylamino]butanamide

Systemtic Name: 4-(azepan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-3-[(phenylmethyl)carbamoylamino]butanamide Openeye Name: 4-(azepan-1-yl)-3-(benzylcarbamoylamino)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]butanamide IUPAC Name: 4-(azepan-1-yl)-3-(benzylcarbamoylamino)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(azepan-1-yl)-3-(benzylcarbamoylamino)-4-keto-butyramide Formula: C25H39N7O3 MolecularWeight: 485.62226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H39N7O3/c26-24(27)32-14-8-11-20(18-32)17-28-22(33)15-21(23(34)31-12-6-1-2-7-13-31)30-25(35)29-16-19-9-4-3-5-10-19/h3-5,9-10,20-21H,1-2,6-8,11-18H2,(H3,26,27)(H,28,33)(H2,29,30,35)