N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-carbamimidoylphenyl)amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-carbamimidoylphenyl)amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-carbamimidoylanilino)-3-hydroxy-propanoyl]amino]-3-methyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-carbamimidoylanilino)-3-hydroxy-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-carbamimidoylanilino)-3-hydroxypropanoyl]amino]-3-methylbutanamide Traditional Name: 2-[[2-(3-amidinoanilino)-3-hydroxy-propanoyl]amino]-3-methyl-N-piperonyl-butyramide Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H29N5O5/c1-13(2)20(23(31)26-10-14-6-7-18-19(8-14)33-12-32-18)28-22(30)17(11-29)27-16-5-3-4-15(9-16)21(24)25/h3-9,13,17,20,27,29H,10-12H2,1-2H3,(H3,24,25)(H,26,31)(H,28,30)