tert-butyl (3S)-3-[[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O4/c1-15(20(27)25-18-11-7-8-12-18)24-21(28)19-13-16-9-5-6-10-17(16)14-26(19)22(29)30-23(2,3)4/h5-6,9-10,15,18-19H,7-8,11-14H2,1-4H3,(H,24,28)(H,25,27)/t15-,19+/m1/s1