3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-thiophen-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-thiophen-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-thienyl)propanoic acid CAS Name: 3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-thiophenyl)propanoic acid IUPAC Name: 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-thiophen-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-thienyl)propionic acid Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=CNN)C(=O)NCC(=O)NC(CC(=O)O)C2=CSC=C2

Isomeric SMILES

C1=CC(=CC(=C1)N=CNN)C(=O)NCC(=O)NC(CC(=O)O)C2=CSC=C2

InChI

InChI=1S/C17H19N5O4S/c18-21-10-20-13-3-1-2-11(6-13)17(26)19-8-15(23)22-14(7-16(24)25)12-4-5-27-9-12/h1-6,9-10,14H,7-8,18H2,(H,19,26)(H,20,21)(H,22,23)(H,24,25)