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

Systemtic Name: 1-methanoyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamoyl]-1-formyl-aziridine-2-carboxylic acid CAS Name: 1-formyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 1-formyl-3-[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamoyl]-1-formyl-ethylenimine-2-carboxylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-12(2)8-9-20-17(24)14(10-13-6-4-3-5-7-13)21-18(25)15-16(19(26)27)22(15)11-23/h3-7,11-12,14-16H,8-10H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)