(2S)-2-[[3-[(2-methylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[3-[(2-methylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[3-(o-tolylcarbamoylamino)naphthalene-2-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[3-[[(2-methylanilino)-oxomethyl]amino]-2-naphthalenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[3-[(2-methylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[3-(o-tolylcarbamoylamino)-2-naphthoyl]amino]succinic acid Formula: C23H21N3O6 MolecularWeight: 435.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C23H21N3O6/c1-13-6-2-5-9-17(13)25-23(32)26-18-11-15-8-4-3-7-14(15)10-16(18)21(29)24-19(22(30)31)12-20(27)28/h2-11,19H,12H2,1H3,(H,24,29)(H,27,28)(H,30,31)(H2,25,26,32)/t19-/m0/s1