[4-[bis(azanyl)methylideneamino]phenyl] (2S)-5-azanyl-2-benzamido-5-oxidanylidene-pentanoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] (2S)-5-azanyl-2-benzamido-5-oxidanylidene-pentanoate Openeye Name: (4-guanidinophenyl) (2S)-5-amino-2-benzamido-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-benzamido-5-oxopentanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] (2S)-5-amino-2-benzamido-5-oxopentanoate Traditional Name: (2S)-5-amino-2-benzamido-5-keto-valeric acid (4-guanidinophenyl) ester Formula: C19H21N5O4 MolecularWeight: 383.40114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)OC2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)OC2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H21N5O4/c20-16(25)11-10-15(24-17(26)12-4-2-1-3-5-12)18(27)28-14-8-6-13(7-9-14)23-19(21)22/h1-9,15H,10-11H2,(H2,20,25)(H,24,26)(H4,21,22,23)/t15-/m0/s1