(3S)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-6-tritio-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoic acid

Systemtic Name: (3S)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-6-tritio-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoic acid Openeye Name: (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-6-tritio-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoic acid CAS Name: (3S)-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-6-tritio-3,4-dihydroisoquinolin-2-yl]ethyl]amino]-4-pentynoic acid IUPAC Name: (3S)-3-[[2-(1-oxo-7-piperazin-1-yl-6-tritio-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoic acid Traditional Name: (3S)-3-[[2-(1-keto-7-piperazino-6-tritio-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoic acid Formula: C20H24N4O4 MolecularWeight: 386.437069

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

[3H]C1=CC2=C(C=C1N3CCNCC3)C(=O)N(CC2)CC(=O)N[C@@H](CC(=O)O)C#C

InChI

InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/m1/s1/i4T