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

Systemtic Name: 1-ethanoyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 1-acetyl-3-[[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 1-acetyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 1-acetyl-3-[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 1-acetyl-3-[[1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2C(=O)C)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2C(=O)C)C(=O)O

InChI

InChI=1S/C20H27N3O5/c1-12(2)9-10-21-18(25)15(11-14-7-5-4-6-8-14)22-19(26)16-17(20(27)28)23(16)13(3)24/h4-8,12,15-17H,9-11H2,1-3H3,(H,21,25)(H,22,26)(H,27,28)