tert-butyl 4-[2-[2-[[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-[[(2S)-2-amino-3-ethoxy-3-oxo-propyl]amino]-2-oxo-ethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[[(2S)-2-amino-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-[[(2S)-2-amino-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[[(2S)-2-amino-3-ethoxy-3-keto-propyl]amino]-2-keto-ethyl]-1-keto-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H37N5O6 MolecularWeight: 503.59118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)[C@H](CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C25H37N5O6/c1-5-35-23(33)20(26)15-27-21(31)16-30-9-8-17-6-7-18(14-19(17)22(30)32)28-10-12-29(13-11-28)24(34)36-25(2,3)4/h6-7,14,20H,5,8-13,15-16,26H2,1-4H3,(H,27,31)/t20-/m0/s1