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

Systemtic Name: (3S)-6-[2-(4-carbamimidoylphenyl)ethanoylamino]-3-(3-methylbutanoylamino)hexanoic acid Openeye Name: (3S)-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-3-(3-methylbutanoylamino)hexanoic acid CAS Name: (3S)-6-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]-3-[(3-methyl-1-oxobutyl)amino]hexanoic acid IUPAC Name: (3S)-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]-3-(3-methylbutanoylamino)hexanoic acid Traditional Name: (3S)-6-[[2-(4-amidinophenyl)acetyl]amino]-3-(isovalerylamino)hexanoic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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