N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclohexanecarboxamide Openeye Name: N-[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]cyclohexanecarboxamide CAS Name: N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclohexanecarboxamide Traditional Name: N-[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]cyclohexanecarboxamide Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1CCC(CC1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H34N6O3/c23-19(29)18(14-15-8-3-1-4-9-15)28-21(31)17(12-7-13-26-22(24)25)27-20(30)16-10-5-2-6-11-16/h1,3-4,8-9,16-18H,2,5-7,10-14H2,(H2,23,29)(H,27,30)(H,28,31)(H4,24,25,26)