2-[3-[[1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[5-(benzyloxycarbonylamino)-1-methoxycarbonyl-pentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[5-(benzyloxycarbonylamino)-1-carbomethoxy-pentyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C27H33N3O7 MolecularWeight: 511.56682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C27H33N3O7/c1-36-26(34)22(12-7-8-16-28-27(35)37-18-19-9-3-2-4-10-19)29-21-15-14-20-11-5-6-13-23(20)30(25(21)33)17-24(31)32/h2-6,9-11,13,21-22,29H,7-8,12,14-18H2,1H3,(H,28,35)(H,31,32)