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

Systemtic Name: 2-[(3R)-3-azanyl-2-oxidanylidene-3-(phenylmethyl)piperidin-1-yl]-N-[(2S,3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]ethanamide Openeye Name: 2-[(3R)-3-amino-3-benzyl-2-oxo-1-piperidyl]-N-[(2S,3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: 2-[(3R)-3-amino-2-oxo-3-(phenylmethyl)-1-piperidinyl]-N-[(2S,3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide IUPAC Name: 2-[(3R)-3-amino-3-benzyl-2-oxopiperidin-1-yl]-N-[(2S,3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(2S,3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3R)-3-amino-3-benzyl-2-keto-piperidino]acetamide Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)(CC3=CC=CC=C3)N

Isomeric SMILES

C1C[C@@H]([C@@H](N(C1)C(=N)N)O)NC(=O)CN2CCC[C@](C2=O)(CC3=CC=CC=C3)N

InChI

InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17-,20+/m0/s1