6-azanyl-2-(2-azanylethanoylamino)-N-[1-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide

Systemtic Name: 6-azanyl-2-(2-azanylethanoylamino)-N-[1-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide Openeye Name: 6-amino-2-[(2-aminoacetyl)amino]-N-[1-benzyl-2-[(1-carbamoyl-2-methyl-propyl)amino]-2-oxo-ethyl]hexanamide CAS Name: 6-amino-N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-[(2-amino-1-oxoethyl)amino]hexanamide IUPAC Name: 6-amino-2-[(2-aminoacetyl)amino]-N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]hexanamide Traditional Name: 6-amino-N-[1-benzyl-2-[(1-carbamoyl-2-methyl-propyl)amino]-2-keto-ethyl]-2-(glycylamino)hexanamide Formula: C22H36N6O4 MolecularWeight: 448.55904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)CN

Isomeric SMILES

CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)CN

InChI

InChI=1S/C22H36N6O4/c1-14(2)19(20(25)30)28-22(32)17(12-15-8-4-3-5-9-15)27-21(31)16(10-6-7-11-23)26-18(29)13-24/h3-5,8-9,14,16-17,19H,6-7,10-13,23-24H2,1-2H3,(H2,25,30)(H,26,29)(H,27,31)(H,28,32)