[2-[[(2R)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-2-methyl-propyl] pent-4-enoate

Systemtic Name: [2-[[(2R)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-2-methyl-propyl] pent-4-enoate Openeye Name: [2-[[(2R)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]pent-4-enoyl]amino]-2-methyl-propyl] pent-4-enoate CAS Name: 4-pentenoic acid [2-[[(2R)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-oxopent-4-enyl]amino]-2-methylpropyl] ester IUPAC Name: [2-[[(2R)-2-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]pent-4-enoyl]amino]-2-methylpropyl] pent-4-enoate Traditional Name: pent-4-enoic acid [2-[[(2R)-2-[2-keto-2-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pent-4-enoyl]amino]-2-methyl-propyl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)CCC=C)NC(=O)C(CC=C)CC(=O)N1CC2=CC=CC=C2CC1CO

Isomeric SMILES

CC(C)(COC(=O)CCC=C)NC(=O)[C@H](CC=C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CO

InChI

InChI=1S/C26H36N2O5/c1-5-7-13-24(31)33-18-26(3,4)27-25(32)20(10-6-2)15-23(30)28-16-21-12-9-8-11-19(21)14-22(28)17-29/h5-6,8-9,11-12,20,22,29H,1-2,7,10,13-18H2,3-4H3,(H,27,32)/t20-,22+/m1/s1