2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)C(CS)N

InChI

InChI=1S/C14H19N3O4S/c15-10(8-22)13(19)16-7-12(18)17-11(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-11,22H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)