2-[2-[(4-carbamimidoylphenyl)methylamino]ethanoylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methylamino]ethanoylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methylamino]acetyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methylamino]-1-oxoethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methylamino]acetyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-[[2-[(4-amidinobenzyl)amino]acetyl]amino]-N-veratryl-propionamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)CNCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)CNCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H29N5O4/c1-14(22(29)26-12-16-6-9-18(30-2)19(10-16)31-3)27-20(28)13-25-11-15-4-7-17(8-5-15)21(23)24/h4-10,14,25H,11-13H2,1-3H3,(H3,23,24)(H,26,29)(H,27,28)