[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)COC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C20H25N3O5/c1-4-13(2)21-20(27)22-18(25)12-28-19(26)11-17-16-8-6-5-7-15(16)9-10-23(17)14(3)24/h5-10,13,17H,4,11-12H2,1-3H3,(H2,21,22,25,27)/t13-,17-/m1/s1