3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-2-ethyl-pent-4-ynoic acid

Systemtic Name: 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-2-ethyl-pent-4-ynoic acid Openeye Name: 2-ethyl-3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 2-ethyl-3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-pentynoic acid IUPAC Name: 2-ethyl-3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 2-ethyl-3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#C)NC(=O)CNC(=O)C1=CC(=CC=C1)N=CNN)C(=O)O

Isomeric SMILES

CCC(C(C#C)NC(=O)CNC(=O)C1=CC(=CC=C1)N=CNN)C(=O)O

InChI

InChI=1S/C17H21N5O4/c1-3-13(17(25)26)14(4-2)22-15(23)9-19-16(24)11-6-5-7-12(8-11)20-10-21-18/h2,5-8,10,13-14H,3,9,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)