tert-butyl (2R)-2-[(3R)-3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(3R)-3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(3R)-3-(indan-5-ylcarbamoylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylate CAS Name: (2R)-2-[(3R)-3-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(3R)-3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethylpiperidine-1-carboxylate Traditional Name: (2R)-2-[(3R)-3-(indan-5-ylcarbamoylamino)-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C34H45N5O4 MolecularWeight: 587.7522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC4)C=C3)C5CC(CCN5C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC4=C(CCC4)C=C3)[C@H]5CC(CCN5C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C34H45N5O4/c1-7-18-38-26-14-9-8-13-25(26)28(27-21-34(5,6)17-19-39(27)32(42)43-33(2,3)4)36-29(30(38)40)37-31(41)35-24-16-15-22-11-10-12-23(22)20-24/h8-9,13-16,20,27,29H,7,10-12,17-19,21H2,1-6H3,(H2,35,37,41)/t27-,29+/m1/s1