2-[[2-(2-azanylethanoylamino)-3-(2,4-dinitrophenyl)sulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(2-azanylethanoylamino)-3-(2,4-dinitrophenyl)sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[(2-aminoacetyl)amino]-3-(2,4-dinitrophenyl)sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-3-[(2,4-dinitrophenyl)thio]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-3-(2,4-dinitrophenyl)sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-[(2,4-dinitrophenyl)thio]-2-(glycylamino)propanoyl]amino]glutaric acid Formula: C16H19N5O10S MolecularWeight: 473.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CN

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CN

InChI

InChI=1S/C16H19N5O10S/c17-6-13(22)18-10(15(25)19-9(16(26)27)2-4-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,22)(H,19,25)(H,23,24)(H,26,27)