methyl 1-[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]-2-(5-azanyl-2-propan-2-ylsulfonyl-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]-2-(5-azanyl-2-propan-2-ylsulfonyl-phenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 2-(5-amino-2-isopropylsulfonyl-phenyl)-1-[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]pyrrolidine-3-carboxylate CAS Name: 1-[2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]-2-(5-amino-2-propan-2-ylsulfonylphenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]-2-(5-amino-2-propan-2-ylsulfonylphenyl)pyrrolidine-3-carboxylate Traditional Name: 2-(5-amino-2-isopropylsulfonyl-phenyl)-1-[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C37H45N5O7S MolecularWeight: 703.8475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N2CCC(C2C3=C(C=CC(=C3)N)S(=O)(=O)C(C)C)C(=O)OC)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)N2CCC(C2C3=C(C=CC(=C3)N)S(=O)(=O)C(C)C)C(=O)OC)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C37H45N5O7S/c1-7-48-31-19-24(8-12-30(31)49-21(2)3)33(41-26-10-11-27-23(18-26)14-16-40-35(27)39)36(43)42-17-15-28(37(44)47-6)34(42)29-20-25(38)9-13-32(29)50(45,46)22(4)5/h8-14,16,18-22,28,33-34,41H,7,15,17,38H2,1-6H3,(H2,39,40)