(2S)-6-azanyl-2-[[(2R,5R,6S)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]heptan-2-yl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2R,5R,6S)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]heptan-2-yl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2R,5R,6S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[(2R,5R,6S)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]heptan-2-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2R,5R,6S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2R,5R,6S)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]hexanoic acid Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C(=O)N2C1C(=O)NC(CCCCN)C(=O)O)NC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H32N4O5/c1-23(2)13-16-18(26-17(28)12-14-8-4-3-5-9-14)21(30)27(16)19(23)20(29)25-15(22(31)32)10-6-7-11-24/h3-5,8-9,15-16,18-19H,6-7,10-13,24H2,1-2H3,(H,25,29)(H,26,28)(H,31,32)/t15-,16+,18-,19-/m0/s1