(2S)-2-azanyl-3-[3-[[(3R)-5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-3-yl]carbamoylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-[[(3R)-5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-3-yl]carbamoylamino]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-[[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1-benzazepin-3-yl]carbamoylamino]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[3-[[[[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1-benzazepin-3-yl]amino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-[[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1-benzazepin-3-yl]carbamoylamino]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-[[(3R)-5-cyclohexyl-2-keto-1-methyl-3H-1-benzazepin-3-yl]carbamoylamino]phenyl]propionic acid Formula: C27H32N4O4 MolecularWeight: 476.56738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)NC3=CC=CC(=C3)CC(C(=O)O)N)C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)C[C@@H](C(=O)O)N)C4CCCCC4

InChI

InChI=1S/C27H32N4O4/c1-31-24-13-6-5-12-20(24)21(18-9-3-2-4-10-18)16-23(25(31)32)30-27(35)29-19-11-7-8-17(14-19)15-22(28)26(33)34/h5-8,11-14,16,18,22-23H,2-4,9-10,15,28H2,1H3,(H,33,34)(H2,29,30,35)/t22-,23+/m0/s1