(2S)-1-[(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-3-methyl-butanoyl]-N-quinolin-5-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-3-methyl-butanoyl]-N-quinolin-5-yl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-3-methyl-butanoyl]-N-(5-quinolyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-N-(5-quinolinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-3-methylbutanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-3-methyl-butanoyl]-N-(5-quinolyl)pyrrolidine-2-carboxamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC2=CC=CC3=C2C=CC=N3)N

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2=CC=CC3=C2C=CC=N3)N

InChI

InChI=1S/C23H31N5O3/c1-4-16(24)21(29)27-20(14(2)3)23(31)28-13-7-11-19(28)22(30)26-18-10-5-9-17-15(18)8-6-12-25-17/h5-6,8-10,12,14,16,19-20H,4,7,11,13,24H2,1-3H3,(H,26,30)(H,27,29)/t16-,19-,20-/m0/s1