ethyl 2-(2-azanylpropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanimidothioate

Systemtic Name: ethyl 2-(2-azanylpropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanimidothioate Openeye Name: ethyl 2-(2-aminopropanoylamino)-4-(tert-butoxycarbonylamino)-3-oxo-pentanimidothioate CAS Name: 2-[(2-amino-1-oxopropyl)amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopentanimidothioic acid ethyl ester IUPAC Name: ethyl 2-(2-aminopropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanimidothioate Traditional Name: 2-(alanylamino)-4-(tert-butoxycarbonylamino)-3-keto-thiovalerimidic acid ethyl ester Formula: C15H28N4O4S MolecularWeight: 360.47222

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=N)C(C(=O)C(C)NC(=O)OC(C)(C)C)NC(=O)C(C)N

Isomeric SMILES

CCSC(=N)C(C(=O)C(C)NC(=O)OC(C)(C)C)NC(=O)C(C)N

InChI

InChI=1S/C15H28N4O4S/c1-7-24-12(17)10(19-13(21)8(2)16)11(20)9(3)18-14(22)23-15(4,5)6/h8-10,17H,7,16H2,1-6H3,(H,18,22)(H,19,21)