(4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-oxidanylidene-5-prop-2-enoxy-pentanoic acid

Systemtic Name: (4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-oxidanylidene-5-prop-2-enoxy-pentanoic acid Openeye Name: (4S)-5-allyloxy-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-5-oxo-5-prop-2-enoxypentanoic acid IUPAC Name: (4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid Traditional Name: (4S)-5-allyloxy-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-keto-valeric acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CCC(=O)O)NC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

C=CCOC(=O)[C@H](CCC(=O)O)NC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H22N2O5/c1-2-11-25-17(23)15(7-8-16(21)22)19-18(24)20-10-9-13-5-3-4-6-14(13)12-20/h2-6,15H,1,7-12H2,(H,19,24)(H,21,22)/t15-/m0/s1