N-[(3R)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3R)-2-oxidanylidene-3-(phenethylamino)piperidin-1-yl]ethanamide

Systemtic Name: N-[(3R)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3R)-2-oxidanylidene-3-(phenethylamino)piperidin-1-yl]ethanamide Openeye Name: N-[(3R)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[(3R)-2-oxo-3-(phenethylamino)-1-piperidyl]acetamide CAS Name: N-[(3R)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[(3R)-2-oxo-3-(phenethylamino)-1-piperidinyl]acetamide IUPAC Name: N-[(3R)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[(3R)-2-oxo-3-(phenethylamino)piperidin-1-yl]acetamide Traditional Name: N-[(3R)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3R)-2-keto-3-(phenethylamino)piperidino]acetamide Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC[C@H](C2=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H32N6O3/c22-21(23)27-13-5-9-17(20(27)30)25-18(28)14-26-12-4-8-16(19(26)29)24-11-10-15-6-2-1-3-7-15/h1-3,6-7,16-17,20,24,30H,4-5,8-14H2,(H3,22,23)(H,25,28)/t16-,17-,20?/m1/s1