3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(1-phenylbutan-2-ylcarbamoyl)azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(1-phenylbutan-2-ylcarbamoyl)azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-(1-benzylpropylcarbamoyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-(1-phenylbutan-2-ylamino)methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-(1-phenylbutan-2-ylcarbamoyl)azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(1-benzylpropylcarbamoyl)-4-keto-azetidine-2-carboxylic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

InChI

InChI=1S/C20H28N4O4/c1-3-15(12-14-8-5-4-6-9-14)23-20(28)24-17(19(26)27)16(18(24)25)10-7-11-22-13(2)21/h4-6,8-9,15-17,22H,2-3,7,10-12,21H2,1H3,(H,23,28)(H,26,27)