3-[2-[[4-(diazanylmethylideneamino)-3-phenyl-butanoyl]amino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[4-(diazanylmethylideneamino)-3-phenyl-butanoyl]amino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[4-(hydrazinomethyleneamino)-3-phenyl-butanoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[4-(hydrazinylmethylideneamino)-1-oxo-3-phenylbutyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[4-(hydrazinylmethylideneamino)-3-phenylbutanoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[4-(hydrazinomethyleneamino)-3-phenyl-butanoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)CN=CNN

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)CN=CNN

InChI

InChI=1S/C21H26N6O4/c22-26-14-24-12-17(15-5-2-1-3-6-15)9-19(28)25-13-20(29)27-18(10-21(30)31)16-7-4-8-23-11-16/h1-8,11,14,17-18H,9-10,12-13,22H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)