3-[2-[[3-(1,3-benzoxazol-2-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(1,3-benzoxazol-2-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(1,3-benzoxazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[3-(1,3-benzoxazol-2-ylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(1,3-benzoxazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(1,3-benzoxazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC(=C3)C(=O)NCC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC(=C3)C(=O)NCC(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O5/c30-21(28-19(12-22(31)32)16-6-4-10-25-13-16)14-26-23(33)15-5-3-7-17(11-15)27-24-29-18-8-1-2-9-20(18)34-24/h1-11,13,19H,12,14H2,(H,26,33)(H,27,29)(H,28,30)(H,31,32)