ethyl 2-[2-(2-azanylethanoylamino)propanoyl-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[2-(2-azanylethanoylamino)propanoyl-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: ethyl 2-[2-[(2-aminoacetyl)amino]propanoyl-(2-benzoylsulfanylacetyl)amino]acetate CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-[2-(benzoylthio)-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-aminoacetyl)amino]propanoyl-(2-benzoylsulfanylacetyl)amino]acetate Traditional Name: 2-[[2-(benzoylthio)acetyl]-[2-(glycylamino)propanoyl]amino]acetic acid ethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)CSC(=O)C1=CC=CC=C1)C(=O)C(C)NC(=O)CN

Isomeric SMILES

CCOC(=O)CN(C(=O)CSC(=O)C1=CC=CC=C1)C(=O)C(C)NC(=O)CN

InChI

InChI=1S/C18H23N3O6S/c1-3-27-16(24)10-21(17(25)12(2)20-14(22)9-19)15(23)11-28-18(26)13-7-5-4-6-8-13/h4-8,12H,3,9-11,19H2,1-2H3,(H,20,22)