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

Systemtic Name: 3-azanyl-4-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[benzyloxycarbonyl-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[carbobenzoxy-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]amino]-4-keto-butyric acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-2-28-15-8-13(27-20-15)10-21(17(24)14(19)9-16(22)23)18(25)26-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,19H2,1H3,(H,22,23)