2-[[(2S)-4-methyl-2-(2-naphthalen-1-ylethanoylamino)pentanoyl]amino]butanoic acid

Systemtic Name: 2-[[(2S)-4-methyl-2-(2-naphthalen-1-ylethanoylamino)pentanoyl]amino]butanoic acid Openeye Name: 2-[[(2S)-4-methyl-2-[[2-(1-naphthyl)acetyl]amino]pentanoyl]amino]butanoic acid CAS Name: 2-[[(2S)-4-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxopentyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanoyl]amino]butanoic acid Traditional Name: 2-[[(2S)-4-methyl-2-[[2-(1-naphthyl)acetyl]amino]pentanoyl]amino]butyric acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCC(C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H28N2O4/c1-4-18(22(27)28)24-21(26)19(12-14(2)3)23-20(25)13-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18-19H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)/t18?,19-/m0/s1