(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl]carbamoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl]carbamoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(1R)-1-(cyclohexylmethyl)-2-oxo-2-(2-phenylpropylamino)ethyl]carbamoylamino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[[(2R)-3-cyclohexyl-1-oxo-1-(2-phenylpropylamino)propan-2-yl]amino]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-oxo-1-(2-phenylpropylamino)propan-2-yl]carbamoylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(1R)-1-(cyclohexylmethyl)-2-keto-2-(2-phenylpropylamino)ethyl]carbamoylamino]hexanoic acid Formula: C25H40N4O4 MolecularWeight: 460.6095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H40N4O4/c1-18(20-12-6-3-7-13-20)17-27-23(30)22(16-19-10-4-2-5-11-19)29-25(33)28-21(24(31)32)14-8-9-15-26/h3,6-7,12-13,18-19,21-22H,2,4-5,8-11,14-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t18?,21-,22+/m0/s1