(2S)-2-[[(2S)-5-azanyl-2-(2-naphthalen-1-ylethanoylamino)pentanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-(2-naphthalen-1-ylethanoylamino)pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[2-(1-naphthyl)acetyl]amino]pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[(2-naphthalen-1-ylacetyl)amino]pentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[2-(1-naphthyl)acetyl]amino]pentanoyl]amino]succinic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N3O6/c22-10-4-9-16(20(28)24-17(21(29)30)12-19(26)27)23-18(25)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-3,5-8,16-17H,4,9-12,22H2,(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t16-,17-/m0/s1