(2R)-7-azanyl-7-azanylidene-2-[(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoate

Systemtic Name: (2R)-7-azanyl-7-azanylidene-2-[(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoate Openeye Name: (2R)-7-amino-2-[(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-heptanoate CAS Name: (2R)-7-amino-2-[(1S,2S)-5-[3-[diethylamino(oxo)methyl]phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoate IUPAC Name: (2R)-7-amino-2-[(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoate Traditional Name: (2R)-7-amino-2-[(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-enanthate Formula: C27H34N3O4- MolecularWeight: 464.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(C(C3)O)C(CCCCC(=N)N)C(=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)[O-]

InChI

InChI=1S/C27H35N3O4/c1-3-30(4-2)26(32)19-9-7-8-17(14-19)18-12-13-21-20(15-18)16-23(31)25(21)22(27(33)34)10-5-6-11-24(28)29/h7-9,12-15,22-23,25,31H,3-6,10-11,16H2,1-2H3,(H3,28,29)(H,33,34)/p-1/t22-,23+,25-/m1/s1