3-[2-[7-(butylcarbamoylamino)-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[7-(butylcarbamoylamino)-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[7-(butylcarbamoylamino)-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[7-[[butylamino(oxo)methyl]amino]-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[7-(butylcarbamoylamino)-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[7-(butylcarbamoylamino)-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H29N5O6 MolecularWeight: 483.51696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC2=C(C=C1)OCCN(C2=O)CC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CCCCNC(=O)NC1=CC2=C(C=C1)OCCN(C2=O)CC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C24H29N5O6/c1-2-3-9-26-24(34)27-17-6-7-20-18(12-17)23(33)29(10-11-35-20)15-21(30)28-19(13-22(31)32)16-5-4-8-25-14-16/h4-8,12,14,19H,2-3,9-11,13,15H2,1H3,(H,28,30)(H,31,32)(H2,26,27,34)