(3S)-6-[2-(4-carbamimidoylphenyl)ethanoylamino]-3-(2-methylpropylcarbamoyl)hexanoic acid

Systemtic Name: (3S)-6-[2-(4-carbamimidoylphenyl)ethanoylamino]-3-(2-methylpropylcarbamoyl)hexanoic acid Openeye Name: (3S)-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-3-(isobutylcarbamoyl)hexanoic acid CAS Name: (3S)-6-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]-3-[(2-methylpropylamino)-oxomethyl]hexanoic acid IUPAC Name: (3S)-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-3-(2-methylpropylcarbamoyl)hexanoic acid Traditional Name: (3S)-6-[[2-(4-amidinophenyl)acetyl]amino]-3-(isobutylcarbamoyl)hexanoic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=O)[C@@H](CCCNC(=O)CC1=CC=C(C=C1)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H30N4O4/c1-13(2)12-24-20(28)16(11-18(26)27)4-3-9-23-17(25)10-14-5-7-15(8-6-14)19(21)22/h5-8,13,16H,3-4,9-12H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)/t16-/m0/s1