3-azanyl-14-[bis(azanyl)methylideneamino]-4,6-bis(oxidanylidene)-5-phenyl-tetradecanoic acid

Systemtic Name: 3-azanyl-14-[bis(azanyl)methylideneamino]-4,6-bis(oxidanylidene)-5-phenyl-tetradecanoic acid Openeye Name: 3-amino-14-guanidino-4,6-dioxo-5-phenyl-tetradecanoic acid CAS Name: 3-amino-14-(diaminomethylideneamino)-4,6-dioxo-5-phenyltetradecanoic acid IUPAC Name: 3-amino-14-(diaminomethylideneamino)-4,6-dioxo-5-phenyltetradecanoic acid Traditional Name: 3-amino-14-guanidino-4,6-diketo-5-phenyl-myristic acid Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C21H32N4O4/c22-16(14-18(27)28)20(29)19(15-10-6-5-7-11-15)17(26)12-8-3-1-2-4-9-13-25-21(23)24/h5-7,10-11,16,19H,1-4,8-9,12-14,22H2,(H,27,28)(H4,23,24,25)