2-[(3R)-3-azanyl-2-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]ethanamide

Systemtic Name: 2-[(3R)-3-azanyl-2-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]ethanamide Openeye Name: 2-[(3R)-3-amino-3-benzyl-2-oxo-azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: 2-[(3R)-3-amino-2-oxo-3-(phenylmethyl)-1-azepanyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide IUPAC Name: 2-[(3R)-3-amino-3-benzyl-2-oxoazepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3R)-3-amino-3-benzyl-2-keto-azepan-1-yl]acetamide Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)(CC2=CC=CC=C2)N)CC(=O)NC3CCCN(C3O)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@@](C1)(CC2=CC=CC=C2)N)CC(=O)N[C@H]3CCCN(C3O)C(=N)N

InChI

InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21+/m0/s1