tert-butyl 3-[(2-azanyl-3-methyl-butanoyl)-(3-methylsulfanylpropyl)carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-azanyl-3-methyl-butanoyl)-(3-methylsulfanylpropyl)carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: tert-butyl 3-[(2-amino-3-methyl-butanoyl)-(3-methylsulfanylpropyl)carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 3-[[(2-amino-3-methyl-1-oxobutyl)-[3-(methylthio)propyl]amino]-oxomethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-amino-3-methylbutanoyl)-(3-methylsulfanylpropyl)carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 3-[(2-amino-3-methyl-butanoyl)-[3-(methylthio)propyl]carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid tert-butyl ester Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CCCSC)C(=O)C1CC2=CC=CC=C2C(N1)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)C(C(=O)N(CCCSC)C(=O)C1CC2=CC=CC=C2C(N1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C24H37N3O4S/c1-15(2)19(25)22(29)27(12-9-13-32-6)21(28)18-14-16-10-7-8-11-17(16)20(26-18)23(30)31-24(3,4)5/h7-8,10-11,15,18-20,26H,9,12-14,25H2,1-6H3