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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-3-15(2)18(24-19(26)16-9-5-4-6-10-16)21(28)25-14-7-11-17(25)20(27)23-13-8-12-22/h4-6,9-10,15,17-18H,3,7-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)/t15-,17-,18-/m0/s1