[3-[bis(azanyl)methylideneamino]phenyl]methyl (2S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[bis(azanyl)methylideneamino]phenyl]methyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: (3-guanidinophenyl)methyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid [3-(diaminomethylideneamino)phenyl]methyl ester IUPAC Name: [3-(diaminomethylideneamino)phenyl]methyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid (3-guanidinobenzyl) ester Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC(=CC=C1)N=C(N)N)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC1=CC(=CC=C1)N=C(N)N)N

InChI

InChI=1S/C14H22N4O2/c1-3-9(2)12(15)13(19)20-8-10-5-4-6-11(7-10)18-14(16)17/h4-7,9,12H,3,8,15H2,1-2H3,(H4,16,17,18)/t9?,12-/m0/s1