2-[[5-azanyl-2-(sulfanylmethyl)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-azanyl-2-(sulfanylmethyl)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-amino-2-(sulfanylmethyl)pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-amino-2-(mercaptomethyl)-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-amino-2-(sulfanylmethyl)pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[5-amino-2-(mercaptomethyl)pentanoyl]amino]-3-phenyl-propionic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCN)CS

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCN)CS

InChI

InChI=1S/C15H22N2O3S/c16-8-4-7-12(10-21)14(18)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,21H,4,7-10,16H2,(H,17,18)(H,19,20)