4-azanyl-5-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[benzyloxycarbonyl-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl-phenylmethoxycarbonylamino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[carbobenzoxy-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]amino]-5-keto-valeric acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C(CCC(=O)O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C(CCC(=O)O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6S/c1-2-29-16-10-14(28-21-16)11-22(18(25)15(20)8-9-17(23)24)19(26)27-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,20H2,1H3,(H,23,24)