2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-5-guanidino-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-(diaminomethylideneamino)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide Traditional Name: 5-guanidino-N-(2-keto-4-methyl-chromen-7-yl)-2-(phenylalanylamino)valeramide Formula: C25H30N6O4 MolecularWeight: 478.5435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H30N6O4/c1-15-12-22(32)35-21-14-17(9-10-18(15)21)30-24(34)20(8-5-11-29-25(27)28)31-23(33)19(26)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14,19-20H,5,8,11,13,26H2,1H3,(H,30,34)(H,31,33)(H4,27,28,29)