(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanylidene-4-[2-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid

Systemtic Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanylidene-4-[2-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid Openeye Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[2-(4-isopropoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-oxo-4-[2-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid IUPAC Name: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxo-4-[2-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid Traditional Name: (3S)-3-[4-(4-amidinophenoxy)butanoylamino]-4-[2-(4-isopropoxyphenyl)ethylamino]-4-keto-butyric acid Formula: C26H34N4O6 MolecularWeight: 498.57136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)C(CC(=O)O)NC(=O)CCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NC(=O)CCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H34N4O6/c1-17(2)36-21-9-5-18(6-10-21)13-14-29-26(34)22(16-24(32)33)30-23(31)4-3-15-35-20-11-7-19(8-12-20)25(27)28/h5-12,17,22H,3-4,13-16H2,1-2H3,(H3,27,28)(H,29,34)(H,30,31)(H,32,33)/t22-/m0/s1