5-azanyl-2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]phenyl]carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-azanyl-2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]phenyl]carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-amino-2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]benzoyl]amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[[3-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]phenyl]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-amino-2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoyl]amino]-5-oxopentanoate Traditional Name: 5-amino-2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]benzoyl]amino]-5-keto-valerate Formula: C21H20N5O4S- MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC(CCC(=O)N)C(=O)[O-])C=C(CN2C=CN=C2)C3=NC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC(CCC(=O)N)C(=O)[O-])/C=C(\CN2C=CN=C2)/C3=NC=CS3

InChI

InChI=1S/C21H21N5O4S/c22-18(27)5-4-17(21(29)30)25-19(28)15-3-1-2-14(10-15)11-16(20-24-7-9-31-20)12-26-8-6-23-13-26/h1-3,6-11,13,17H,4-5,12H2,(H2,22,27)(H,25,28)(H,29,30)/p-1/b16-11+