[(3S)-3-azanyl-7-[bis(azanyl)methylideneamino]-2-oxidanylidene-heptyl] 2,6-dimethylbenzoate

Systemtic Name: [(3S)-3-azanyl-7-[bis(azanyl)methylideneamino]-2-oxidanylidene-heptyl] 2,6-dimethylbenzoate Openeye Name: [(3S)-3-amino-7-guanidino-2-oxo-heptyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid [(3S)-3-amino-7-(diaminomethylideneamino)-2-oxoheptyl] ester IUPAC Name: [(3S)-3-amino-7-(diaminomethylideneamino)-2-oxoheptyl] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [(3S)-3-amino-7-guanidino-2-keto-heptyl] ester Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)C(CCCCN=C(N)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)[C@H](CCCCN=C(N)N)N

InChI

InChI=1S/C17H26N4O3/c1-11-6-5-7-12(2)15(11)16(23)24-10-14(22)13(18)8-3-4-9-21-17(19)20/h5-7,13H,3-4,8-10,18H2,1-2H3,(H4,19,20,21)/t13-/m0/s1