(2S)-N-[(2S)-2-azanyl-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxidanylidene-N-[(2S)-1-pentylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-2-azanyl-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxidanylidene-N-[(2S)-1-pentylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-N-[(2S)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)-4-imidazolyl]-1-oxopropyl]-5-oxo-N-[oxo-[(2S)-1-pentyl-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-N-[(2S)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-N-[(2S)-1-amylprolyl]-5-keto-pyrrolidine-2-carboxamide Formula: C25H36N8O4 MolecularWeight: 512.60454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCC1C(=O)N(C(=O)C2CCC(=O)N2)C(=O)C(CC3=CN=CN3CC4=NC=CN4)N

Isomeric SMILES

CCCCCN1CCC[C@H]1C(=O)N(C(=O)[C@@H]2CCC(=O)N2)C(=O)[C@H](CC3=CN=CN3CC4=NC=CN4)N

InChI

InChI=1S/C25H36N8O4/c1-2-3-4-11-31-12-5-6-20(31)25(37)33(24(36)19-7-8-22(34)30-19)23(35)18(26)13-17-14-27-16-32(17)15-21-28-9-10-29-21/h9-10,14,16,18-20H,2-8,11-13,15,26H2,1H3,(H,28,29)(H,30,34)/t18-,19-,20-/m0/s1