2-[[6-azanyl-1-(2-chloranyloxycarbonylpyrrolidin-1-yl)-1-oxidanylidene-hexan-2-yl]amino]-4-cyclohexa-2,4-dien-1-yl-butanoic acid

Systemtic Name: 2-[[6-azanyl-1-(2-chloranyloxycarbonylpyrrolidin-1-yl)-1-oxidanylidene-hexan-2-yl]amino]-4-cyclohexa-2,4-dien-1-yl-butanoic acid Openeye Name: 2-[[5-amino-1-(2-chlorooxycarbonylpyrrolidine-1-carbonyl)pentyl]amino]-4-cyclohexa-2,4-dien-1-yl-butanoic acid CAS Name: 2-[[6-amino-1-[2-[chlorooxy(oxo)methyl]-1-pyrrolidinyl]-1-oxohexan-2-yl]amino]-4-(1-cyclohexa-2,4-dienyl)butanoic acid IUPAC Name: 2-[[6-amino-1-(2-chlorooxycarbonylpyrrolidin-1-yl)-1-oxohexan-2-yl]amino]-4-cyclohexa-2,4-dien-1-ylbutanoic acid Traditional Name: 2-[[5-amino-1-(2-chlorooxycarbonylpyrrolidine-1-carbonyl)pentyl]amino]-4-cyclohexa-2,4-dien-1-yl-butyric acid Formula: C21H32ClN3O5 MolecularWeight: 441.94888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2CC=CC=C2)C(=O)O)C(=O)OCl

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2CC=CC=C2)C(=O)O)C(=O)OCl

InChI

InChI=1S/C21H32ClN3O5/c22-30-21(29)18-10-6-14-25(18)19(26)16(9-4-5-13-23)24-17(20(27)28)12-11-15-7-2-1-3-8-15/h1-3,7,15-18,24H,4-6,8-14,23H2,(H,27,28)