8-[3-[[(2S)-2-azanylpentanoyl]amino]pyrrolidin-1-yl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[3-[[(2S)-2-azanylpentanoyl]amino]pyrrolidin-1-yl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-[[(2S)-2-aminopentanoyl]amino]pyrrolidin-1-yl]-1-ethyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-[[(2S)-2-amino-1-oxopentyl]amino]-1-pyrrolidinyl]-1-ethyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-[[(2S)-2-aminopentanoyl]amino]pyrrolidin-1-yl]-1-ethyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-[[(2S)-2-aminopentanoyl]amino]pyrrolidino]-1-ethyl-4-keto-quinolizine-3-carboxylic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CCN(C1)C2=CC3=C(C=C(C(=O)N3C=C2)C(=O)O)CC)N

Isomeric SMILES

CCC[C@@H](C(=O)NC1CCN(C1)C2=CC3=C(C=C(C(=O)N3C=C2)C(=O)O)CC)N

InChI

InChI=1S/C21H28N4O4/c1-3-5-17(22)19(26)23-14-6-8-24(12-14)15-7-9-25-18(11-15)13(4-2)10-16(20(25)27)21(28)29/h7,9-11,14,17H,3-6,8,12,22H2,1-2H3,(H,23,26)(H,28,29)/t14?,17-/m0/s1