2-acetamido-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide; ethanoic acid

Systemtic Name: 2-acetamido-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide; ethanoic acid Openeye Name: 2-acetamido-N-(2-amino-1-benzyl-2-oxo-ethyl)-5-guanidino-pentanamide; acetic acid CAS Name: 2-acetamido-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide; acetic acid IUPAC Name: 2-acetamido-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide; acetic acid Traditional Name: 2-acetamido-N-(2-amino-1-benzyl-2-keto-ethyl)-5-guanidino-valeramide; acetic acid Formula: C19H30N6O5 MolecularWeight: 422.4787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N.CC(=O)O

Isomeric SMILES

CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N.CC(=O)O

InChI

InChI=1S/C17H26N6O3.C2H4O2/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12;1-2(3)4/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21);1H3,(H,3,4)