N-[4-azanyl-1-[bis(azanyl)methylideneamino]-5,6-bis(oxidanylidene)-6-phenyl-hexan-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[4-azanyl-1-[bis(azanyl)methylideneamino]-5,6-bis(oxidanylidene)-6-phenyl-hexan-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-amino-1-(2-guanidinoethyl)-3,4-dioxo-4-phenyl-butyl]-3-phenyl-propanamide CAS Name: N-[4-amino-1-(diaminomethylideneamino)-5,6-dioxo-6-phenylhexan-3-yl]-3-phenylpropanamide IUPAC Name: N-[4-amino-1-(diaminomethylideneamino)-5,6-dioxo-6-phenylhexan-3-yl]-3-phenylpropanamide Traditional Name: N-[2-amino-1-(2-guanidinoethyl)-3,4-diketo-4-phenyl-butyl]-3-phenyl-propionamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CCN=C(N)N)C(C(=O)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CCN=C(N)N)C(C(=O)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C22H27N5O3/c23-19(21(30)20(29)16-9-5-2-6-10-16)17(13-14-26-22(24)25)27-18(28)12-11-15-7-3-1-4-8-15/h1-10,17,19H,11-14,23H2,(H,27,28)(H4,24,25,26)