(3R)-7-[(4-carbamimidoylphenyl)carbonylamino]-3-(3-methylbutanoylamino)heptanoic acid

Systemtic Name: (3R)-7-[(4-carbamimidoylphenyl)carbonylamino]-3-(3-methylbutanoylamino)heptanoic acid Openeye Name: (3R)-7-[(4-carbamimidoylbenzoyl)amino]-3-(3-methylbutanoylamino)heptanoic acid CAS Name: (3R)-7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-[(3-methyl-1-oxobutyl)amino]heptanoic acid IUPAC Name: (3R)-7-[(4-carbamimidoylbenzoyl)amino]-3-(3-methylbutanoylamino)heptanoic acid Traditional Name: (3R)-7-[(4-amidinobenzoyl)amino]-3-(isovalerylamino)enanthic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CCCCNC(=O)C1=CC=C(C=C1)C(=N)N)CC(=O)O

Isomeric SMILES

CC(C)CC(=O)N[C@H](CCCCNC(=O)C1=CC=C(C=C1)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H30N4O4/c1-13(2)11-17(25)24-16(12-18(26)27)5-3-4-10-23-20(28)15-8-6-14(7-9-15)19(21)22/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,21,22)(H,23,28)(H,24,25)(H,26,27)/t16-/m1/s1