4-(aminomethyl)-N-[(2S)-1-(6-azanylhexylamino)-1-oxidanylidene-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[(2S)-1-(6-azanylhexylamino)-1-oxidanylidene-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide Openeye Name: N-[(1S)-2-(6-aminohexylamino)-2-oxo-1-[[4-(4-pyridylmethoxy)phenyl]methyl]ethyl]-4-(aminomethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-(6-aminohexylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-4-(aminomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(6-aminohexylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-4-(aminomethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-2-(6-aminohexylamino)-2-keto-1-[4-(4-pyridylmethoxy)benzyl]ethyl]-4-(aminomethyl)cyclohexanecarboxamide Formula: C29H43N5O3 MolecularWeight: 509.68342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)NCCCCCCN

Isomeric SMILES

C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)NCCCCCCN

InChI

InChI=1S/C29H43N5O3/c30-15-3-1-2-4-16-33-29(36)27(34-28(35)25-9-5-23(20-31)6-10-25)19-22-7-11-26(12-8-22)37-21-24-13-17-32-18-14-24/h7-8,11-14,17-18,23,25,27H,1-6,9-10,15-16,19-21,30-31H2,(H,33,36)(H,34,35)/t23?,25?,27-/m0/s1