2-acetamido-5-(phenylcarbamothioylamino)pentanoic acid

Systemtic Name: 2-acetamido-5-(phenylcarbamothioylamino)pentanoic acid Openeye Name: 2-acetamido-5-(phenylcarbamothioylamino)pentanoic acid CAS Name: 2-acetamido-5-[[anilino(sulfanylidene)methyl]amino]pentanoic acid IUPAC Name: 2-acetamido-5-(phenylcarbamothioylamino)pentanoic acid Traditional Name: 2-acetamido-5-(phenylthiocarbamoylamino)valeric acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCNC(=S)NC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCNC(=S)NC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-10(18)16-12(13(19)20)8-5-9-15-14(21)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,16,18)(H,19,20)(H2,15,17,21)