6-[2-(4-carbamimidoylphenyl)ethanoylamino]-3-(3-methylbutanoylamino)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-[2-(4-carbamimidoylphenyl)ethanoylamino]-3-(3-methylbutanoylamino)-5-oxidanyl-hexanoic acid Openeye Name: 6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-5-hydroxy-3-(3-methylbutanoylamino)hexanoic acid CAS Name: 6-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]-5-hydroxy-3-[(3-methyl-1-oxobutyl)amino]hexanoic acid IUPAC Name: 6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-5-hydroxy-3-(3-methylbutanoylamino)hexanoic acid Traditional Name: 6-[[2-(4-amidinophenyl)acetyl]amino]-5-hydroxy-3-(isovalerylamino)hexanoic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CC(CNC(=O)CC1=CC=C(C=C1)C(=N)N)O)CC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC(CC(CNC(=O)CC1=CC=C(C=C1)C(=N)N)O)CC(=O)O

InChI

InChI=1S/C20H30N4O5/c1-12(2)7-18(27)24-15(10-19(28)29)9-16(25)11-23-17(26)8-13-3-5-14(6-4-13)20(21)22/h3-6,12,15-16,25H,7-11H2,1-2H3,(H3,21,22)(H,23,26)(H,24,27)(H,28,29)