2-azanyl-N-[1-azanyl-3-(oxan-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-azanyl-N-[1-azanyl-3-(oxan-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-amino-N-[2-amino-2-oxo-1-(tetrahydropyran-2-ylsulfanylmethyl)ethyl]-3-benzylsulfanyl-propanamide CAS Name: 2-amino-N-[1-amino-3-(2-oxanylthio)-1-oxopropan-2-yl]-3-(phenylmethylthio)propanamide IUPAC Name: 2-amino-N-[1-amino-3-(oxan-2-ylsulfanyl)-1-oxopropan-2-yl]-3-benzylsulfanylpropanamide Traditional Name: 2-amino-N-[2-amino-2-keto-1-[(tetrahydropyran-2-ylthio)methyl]ethyl]-3-(benzylthio)propionamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(C(=O)N)NC(=O)C(CSCC2=CC=CC=C2)N

Isomeric SMILES

C1CCOC(C1)SCC(C(=O)N)NC(=O)C(CSCC2=CC=CC=C2)N

InChI

InChI=1S/C18H27N3O3S2/c19-14(11-25-10-13-6-2-1-3-7-13)18(23)21-15(17(20)22)12-26-16-8-4-5-9-24-16/h1-3,6-7,14-16H,4-5,8-12,19H2,(H2,20,22)(H,21,23)