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

Systemtic Name: N-[(3S)-1-[2-[[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[(3S)-1-[2-[[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]amino]-2-oxo-ethyl]-2-oxo-3-piperidyl]-2-phenyl-acetamide CAS Name: N-[(3S)-1-[2-[[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]amino]-2-oxoethyl]-2-oxo-3-piperidinyl]-2-phenylacetamide IUPAC Name: N-[(3S)-1-[2-[[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]-2-phenylacetamide Traditional Name: N-[(3S)-1-[2-[[(1S)-3-amidino-2-hydroxy-cyclohexyl]amino]-2-keto-ethyl]-2-keto-3-piperidyl]-2-phenyl-acetamide Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c23-21(24)15-8-4-9-16(20(15)30)25-19(29)13-27-11-5-10-17(22(27)31)26-18(28)12-14-6-2-1-3-7-14/h1-3,6-7,15-17,20,30H,4-5,8-13H2,(H3,23,24)(H,25,29)(H,26,28)/t15?,16-,17-,20?/m0/s1