(2R)-2-azanyl-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-ethoxyphenyl)propanamide

Systemtic Name: (2R)-2-azanyl-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-ethoxyphenyl)propanamide Openeye Name: (2R)-2-amino-N-[(1S)-1-benzyl-2-[(1-carbamimidoyl-4-piperidyl)amino]-2-oxo-ethyl]-3-(4-ethoxyphenyl)propanamide CAS Name: (2R)-2-amino-N-[(2S)-1-[(1-carbamimidoyl-4-piperidinyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-(4-ethoxyphenyl)propanamide IUPAC Name: (2R)-2-amino-N-[(2S)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-(4-ethoxyphenyl)propanamide Traditional Name: (2R)-N-[(1S)-2-[(1-amidino-4-piperidyl)amino]-1-benzyl-2-keto-ethyl]-2-amino-3-p-phenetyl-propionamide Formula: C26H36N6O3 MolecularWeight: 480.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=N)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=N)N)N

InChI

InChI=1S/C26H36N6O3/c1-2-35-21-10-8-19(9-11-21)16-22(27)24(33)31-23(17-18-6-4-3-5-7-18)25(34)30-20-12-14-32(15-13-20)26(28)29/h3-11,20,22-23H,2,12-17,27H2,1H3,(H3,28,29)(H,30,34)(H,31,33)/t22-,23+/m1/s1