2-[[2-[(3-carbamimidoylphenyl)amino]-3-oxidanyl-propanoyl]amino]-3-methyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-[[2-[(3-carbamimidoylphenyl)amino]-3-oxidanyl-propanoyl]amino]-3-methyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[[2-(3-carbamimidoylanilino)-3-hydroxy-propanoyl]amino]-3-methyl-butanamide CAS Name: 2-[[2-(3-carbamimidoylanilino)-3-hydroxy-1-oxopropyl]amino]-3-methyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[[2-(3-carbamimidoylanilino)-3-hydroxypropanoyl]amino]-3-methylbutanamide Traditional Name: 2-[[2-(3-amidinoanilino)-3-hydroxy-propanoyl]amino]-N-benzyl-3-methyl-butyramide Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CO)NC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CO)NC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C22H29N5O3/c1-14(2)19(22(30)25-12-15-7-4-3-5-8-15)27-21(29)18(13-28)26-17-10-6-9-16(11-17)20(23)24/h3-11,14,18-19,26,28H,12-13H2,1-2H3,(H3,23,24)(H,25,30)(H,27,29)