3-[[1-(3-methylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(3-methylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[2-(isopentylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(3-methylbutylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(3-methylbutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[2-(isoamylamino)-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C3C(N3)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C3C(N3)C(=O)O

InChI

InChI=1S/C22H27N3O4/c1-13(2)9-10-23-20(26)17(24-21(27)18-19(25-18)22(28)29)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13,17-19,25H,9-10,12H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)