[4-[bis(azanyl)methylideneamino]phenyl] (2S)-2-benzamido-4-methyl-pentanoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] (2S)-2-benzamido-4-methyl-pentanoate Openeye Name: (4-guanidinophenyl) (2S)-2-benzamido-4-methyl-pentanoate CAS Name: (2S)-2-benzamido-4-methylpentanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] (2S)-2-benzamido-4-methylpentanoate Traditional Name: (2S)-2-benzamido-4-methyl-valeric acid (4-guanidinophenyl) ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=C(C=C1)N=C(N)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=CC=C(C=C1)N=C(N)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N4O3/c1-13(2)12-17(24-18(25)14-6-4-3-5-7-14)19(26)27-16-10-8-15(9-11-16)23-20(21)22/h3-11,13,17H,12H2,1-2H3,(H,24,25)(H4,21,22,23)/t17-/m0/s1