3-[3-[[4-[(E)-diazanylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[[4-[(E)-diazanylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[[4-[(E)-hydrazinylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[[4-[(E)-hydrazinylidenemethyl]anilino]-oxomethyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[4-[(E)-hydrazinylidenemethyl]phenyl]carbamoylamino]propanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-[[4-[(E)-hydrazonomethyl]phenyl]carbamoylamino]propanoylamino]-3-(3-pyridyl)propionic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)NC2=CC=C(C=C2)C=NN

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)NC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C19H22N6O4/c20-23-11-13-3-5-15(6-4-13)24-19(29)22-9-7-17(26)25-16(10-18(27)28)14-2-1-8-21-12-14/h1-6,8,11-12,16H,7,9-10,20H2,(H,25,26)(H,27,28)(H2,22,24,29)/b23-11+