2-[[(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[[(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-tert-butoxycarbonyl-amino]acetic acid CAS Name: 2-[[(2R)-1-[(2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[[(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-1-p-anisyl-ethyl]-tert-butoxycarbonyl-amino]acetic acid Formula: C32H39N5O7 MolecularWeight: 605.68136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)O)C(CC1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)O)[C@H](CC1=CC=C(C=C1)OC)C(=O)N2CCC[C@H]2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C32H39N5O7/c1-32(2,3)44-31(42)37(19-27(38)39)26(17-20-7-10-23(43-4)11-8-20)30(41)36-15-5-6-25(36)29(40)35-18-21-9-12-24-22(16-21)13-14-34-28(24)33/h7-14,16,25-26H,5-6,15,17-19H2,1-4H3,(H2,33,34)(H,35,40)(H,38,39)/t25-,26+/m0/s1