3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-(1-oxo-6-phenylhexyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)CCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)CCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H37N5O5/c1-19(27)28-14-8-12-21-23(25(34)35)31(24(21)33)26(36)30-17-15-29(16-18-30)22(32)13-7-3-6-11-20-9-4-2-5-10-20/h2,4-5,9-10,21,23,28H,1,3,6-8,11-18,27H2,(H,34,35)