(2S)-2-azanyl-N-[1-[(1-azanylisoquinolin-6-yl)methylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-4-phenyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[1-[(1-azanylisoquinolin-6-yl)methylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-4-phenyl-butanamide Openeye Name: (2S)-2-amino-N-[2-[(1-amino-6-isoquinolyl)methylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl]-4-phenyl-butanamide CAS Name: (2S)-2-amino-N-[1-[(1-amino-6-isoquinolinyl)methylamino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]-4-phenylbutanamide IUPAC Name: (2S)-2-amino-N-[1-[(1-aminoisoquinolin-6-yl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-phenylbutanamide Traditional Name: (2S)-2-amino-N-[2-[(1-amino-6-isoquinolyl)methylamino]-2-keto-1-(1-naphthylmethyl)ethyl]-4-phenyl-butyramide Formula: C33H33N5O2 MolecularWeight: 531.64742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33N5O2/c34-29(16-14-22-7-2-1-3-8-22)32(39)38-30(20-25-11-6-10-24-9-4-5-12-27(24)25)33(40)37-21-23-13-15-28-26(19-23)17-18-36-31(28)35/h1-13,15,17-19,29-30H,14,16,20-21,34H2,(H2,35,36)(H,37,40)(H,38,39)/t29-,30?/m0/s1