(3S)-2-[(4R)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(4R)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(4R)-4-(benzyloxycarbonylamino)-5-hydroxy-5-oxo-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(4R)-5-hydroxy-1,5-dioxo-4-(phenylmethoxycarbonylamino)pentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(4R)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(4R)-4-(benzyloxycarbonylamino)-5-hydroxy-5-keto-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H24N2O7 MolecularWeight: 440.44586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7/c26-20(25-13-17-9-5-4-8-16(17)12-19(25)22(29)30)11-10-18(21(27)28)24-23(31)32-14-15-6-2-1-3-7-15/h1-9,18-19H,10-14H2,(H,24,31)(H,27,28)(H,29,30)/t18-,19+/m1/s1