N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-7-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-7-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3S)-3-(cyclohexylmethylsulfonylamino)-2-keto-7-methoxy-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide; 2,2,2-trifluoroacetic acid Formula: C28H41F3N6O8S MolecularWeight: 678.72075

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C(CC2)NS(=O)(=O)CC3CCCCC3)CC(=O)NC4CCCN(C4O)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)[C@H](CC2)NS(=O)(=O)CC3CCCCC3)CC(=O)N[C@H]4CCCN(C4O)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H40N6O6S.C2HF3O2/c1-38-19-10-12-22-18(14-19)9-11-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28;3-2(4,5)1(6)7/h10,12,14,17,20-21,24,30,34H,2-9,11,13,15-16H2,1H3,(H3,27,28)(H,29,33);(H,6,7)/t20-,21-,24?;/m0./s1