(3S)-5-isoquinolin-3-yloxy-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-isoquinolin-3-yloxy-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(3-isoquinolyloxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-(3-isoquinolinyloxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-isoquinolin-3-yloxy-3-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-(3-isoquinolyloxy)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]valeric acid Formula: C31H31N3O7 MolecularWeight: 557.59374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=CC2=CC=CC=C2C=N1)NC(=O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=CC2=CC=CC=C2C=N1)NC(=O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C31H31N3O7/c1-19(2)30(34-27(36)18-40-26-13-7-11-20-8-5-6-12-23(20)26)31(39)33-24(15-29(37)38)25(35)17-41-28-14-21-9-3-4-10-22(21)16-32-28/h3-14,16,19,24,30H,15,17-18H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t24-,30-/m0/s1