methyl (2S)-3-(1-carbamimidoylpiperidin-4-yl)-2-[[4-methyl-3-oxidanyl-5-(3-phenylpropoxy)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1-carbamimidoylpiperidin-4-yl)-2-[[4-methyl-3-oxidanyl-5-(3-phenylpropoxy)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1-carbamimidoyl-4-piperidyl)-2-[[3-hydroxy-4-methyl-5-(3-phenylpropoxy)benzoyl]amino]propanoate CAS Name: (2S)-3-(1-carbamimidoyl-4-piperidinyl)-2-[[[3-hydroxy-4-methyl-5-(3-phenylpropoxy)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1-carbamimidoylpiperidin-4-yl)-2-[[3-hydroxy-4-methyl-5-(3-phenylpropoxy)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1-amidino-4-piperidyl)-2-[[3-hydroxy-4-methyl-5-(3-phenylpropoxy)benzoyl]amino]propionic acid methyl ester Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OCCCC2=CC=CC=C2)C(=O)NC(CC3CCN(CC3)C(=N)N)C(=O)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1OCCCC2=CC=CC=C2)C(=O)N[C@@H](CC3CCN(CC3)C(=N)N)C(=O)OC)O

InChI

InChI=1S/C27H36N4O5/c1-18-23(32)16-21(17-24(18)36-14-6-9-19-7-4-3-5-8-19)25(33)30-22(26(34)35-2)15-20-10-12-31(13-11-20)27(28)29/h3-5,7-8,16-17,20,22,32H,6,9-15H2,1-2H3,(H3,28,29)(H,30,33)/t22-/m0/s1