N-[(3S)-1-[2-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(3S)-1-[2-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[(3S)-1-[2-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]amino]-2-oxo-ethyl]-2-oxo-3-piperidyl]-2-phenyl-acetamide CAS Name: N-[(3S)-1-[2-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]amino]-2-oxoethyl]-2-oxo-3-piperidinyl]-2-phenylacetamide IUPAC Name: N-[(3S)-1-[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]-2-phenylacetamide Traditional Name: N-[(3S)-1-[2-[[(3S)-1-amidino-2-hydroxy-3-piperidyl]amino]-2-keto-ethyl]-2-keto-3-piperidyl]-2-phenyl-acetamide Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O4/c22-21(23)27-11-5-9-16(20(27)31)25-18(29)13-26-10-4-8-15(19(26)30)24-17(28)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,20,31H,4-5,8-13H2,(H3,22,23)(H,24,28)(H,25,29)/t15-,16-,20?/m0/s1