(phenylmethyl) (3S)-3-[[(1R)-1-azanyl-2-oxidanyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-[[(1R)-1-azanyl-2-oxidanyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-[[(1R)-1-amino-2-hydroxy-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(1R)-1-amino-2-hydroxyethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[[(1R)-1-amino-2-hydroxyethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1R)-1-amino-2-hydroxy-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC(CO)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)N[C@H](CO)N

InChI

InChI=1S/C20H23N3O4/c21-18(12-24)22-19(25)17-10-15-8-4-5-9-16(15)11-23(17)20(26)27-13-14-6-2-1-3-7-14/h1-9,17-18,24H,10-13,21H2,(H,22,25)/t17-,18+/m0/s1