(2S)-N-(4-azanylbutyl)-1-[(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-1-[(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-aminobutyl)-1-[(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-aminobutyl)-1-[(2S,3S)-2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-aminobutyl)-1-[(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-aminobutyl)-1-[(2S,3S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C24H38N4O4 MolecularWeight: 446.58292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NCCCCN)NC(=O)CCC2=CC=C(C=C2)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCCN)NC(=O)CCC2=CC=C(C=C2)O

InChI

InChI=1S/C24H38N4O4/c1-3-17(2)22(27-21(30)13-10-18-8-11-19(29)12-9-18)24(32)28-16-6-7-20(28)23(31)26-15-5-4-14-25/h8-9,11-12,17,20,22,29H,3-7,10,13-16,25H2,1-2H3,(H,26,31)(H,27,30)/t17-,20-,22-/m0/s1