N-[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-carbamimidoyl-benzamide

Systemtic Name: N-[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-carbamimidoyl-benzamide Openeye Name: 4-carbamimidoyl-N-[1-[(1-formyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]benzamide CAS Name: 4-carbamimidoyl-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 4-carbamimidoyl-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-amidino-N-[1-[(1-formyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]benzamide Formula: C19H29N7O3 MolecularWeight: 403.47866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N7O3/c1-11(2)15(18(29)25-14(10-27)4-3-9-24-19(22)23)26-17(28)13-7-5-12(6-8-13)16(20)21/h5-8,10-11,14-15H,3-4,9H2,1-2H3,(H3,20,21)(H,25,29)(H,26,28)(H4,22,23,24)