2-[5-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-cyclohexyl-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C32H31N3O5 MolecularWeight: 537.60564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C32H31N3O5/c36-28(37)18-35-27-17-9-8-16-25(27)29(20-10-2-1-3-11-20)33-30(31(35)38)34-32(39)40-19-26-23-14-6-4-12-21(23)22-13-5-7-15-24(22)26/h4-9,12-17,20,26,30H,1-3,10-11,18-19H2,(H,34,39)(H,36,37)