2-[2-[[2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]butanedioate

Systemtic Name: 2-[2-[[2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]butanedioate Openeye Name: 2-[[2-[[2-(benzylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]butanedioate CAS Name: 2-[[1-oxo-2-[[oxo-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-thiazolyl]methyl]amino]ethyl]amino]butanedioate IUPAC Name: 2-[[2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]butanedioate Traditional Name: 2-[[2-[[2-(benzylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]succinate Formula: C18H17N5O7S-2 MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19N5O7S/c24-13(21-11(16(28)29)6-14(25)26)8-19-15(27)12-9-31-18(22-12)23-17(30)20-7-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,19,27)(H,21,24)(H,25,26)(H,28,29)(H2,20,22,23,30)/p-2