2,4-bis(azanyl)-2-(1-methoxyethyl)-3-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 2,4-bis(azanyl)-2-(1-methoxyethyl)-3-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 2,4-diamino-5-benzylsulfanyl-2-(1-methoxyethyl)-3-oxo-pentanoic acid CAS Name: 2,4-diamino-2-(1-methoxyethyl)-3-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: 2,4-diamino-5-benzylsulfanyl-2-(1-methoxyethyl)-3-oxopentanoic acid Traditional Name: 2,4-diamino-5-(benzylthio)-3-keto-2-(1-methoxyethyl)valeric acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(CSCC1=CC=CC=C1)N)(C(=O)O)N)OC

Isomeric SMILES

CC(C(C(=O)C(CSCC1=CC=CC=C1)N)(C(=O)O)N)OC

InChI

InChI=1S/C15H22N2O4S/c1-10(21-2)15(17,14(19)20)13(18)12(16)9-22-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,16-17H2,1-2H3,(H,19,20)