2-[3-cyanopropyl-[(2S)-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[3-cyanopropyl-[(2S)-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]amino]ethanoic acid Openeye Name: 2-[3-cyanopropyl-[(2S)-3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]acetic acid CAS Name: 2-[3-cyanopropyl-[(2S)-3-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[3-cyanopropyl-[(2S)-3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]acetic acid Traditional Name: 2-[3-cyanopropyl-[(2S)-3-methyl-2-(2-naphthoylamino)butanoyl]amino]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CCCC#N)CC(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N(CCCC#N)CC(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C22H25N3O4/c1-15(2)20(22(29)25(14-19(26)27)12-6-5-11-23)24-21(28)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,15,20H,5-6,12,14H2,1-2H3,(H,24,28)(H,26,27)/t20-/m0/s1