(2S)-N-(3-azanylpropyl)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-azanylpropyl)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-aminopropyl)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-aminopropyl)-1-[(2S)-2-benzamido-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-aminopropyl)-1-[(2S)-2-benzamido-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-aminopropyl)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCCCN)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCN)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32N4O3/c1-15(2)14-17(24-19(26)16-8-4-3-5-9-16)21(28)25-13-6-10-18(25)20(27)23-12-7-11-22/h3-5,8-9,15,17-18H,6-7,10-14,22H2,1-2H3,(H,23,27)(H,24,26)/t17-,18-/m0/s1