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

Systemtic Name: 2-[[(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[(2R)-1-[(2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]acetic acid IUPAC Name: 2-[[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]acetic acid Traditional Name: 2-[[(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-1-(1-naphthylmethyl)ethyl]amino]acetic acid Formula: C30H31N5O4 MolecularWeight: 525.59824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC3=CC=CC=C32)NCC(=O)O)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC3=CC=CC=C32)NCC(=O)O)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C30H31N5O4/c31-28-24-11-10-19(15-22(24)12-13-32-28)17-34-29(38)26-9-4-14-35(26)30(39)25(33-18-27(36)37)16-21-7-3-6-20-5-1-2-8-23(20)21/h1-3,5-8,10-13,15,25-26,33H,4,9,14,16-18H2,(H2,31,32)(H,34,38)(H,36,37)/t25-,26+/m1/s1