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

Systemtic Name: [(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamic acid CAS Name: [(2R)-1-[(2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid IUPAC Name: [(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-1-p-anisyl-ethyl]carbamic acid Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N)NC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N)NC(=O)O

InChI

InChI=1S/C26H29N5O5/c1-36-19-7-4-16(5-8-19)14-21(30-26(34)35)25(33)31-12-2-3-22(31)24(32)29-15-17-6-9-20-18(13-17)10-11-28-23(20)27/h4-11,13,21-22,30H,2-3,12,14-15H2,1H3,(H2,27,28)(H,29,32)(H,34,35)/t21-,22+/m1/s1