(2R)-1-[(2S)-2-[3-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[(2S)-2-[3-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[(2S)-2-[3-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[(2S)-2-[[3-[[(2R)-2-acetamido-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[(2S)-2-[3-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[(2S)-2-[3-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide Formula: C25H33N7O5 MolecularWeight: 511.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C25H33N7O5/c1-16(33)30-19(12-17-6-3-2-4-7-17)24(36)28-10-9-22(34)31-20(13-18-14-27-15-29-18)25(37)32-11-5-8-21(32)23(26)35/h2-4,6-7,14-15,19-21H,5,8-13H2,1H3,(H2,26,35)(H,27,29)(H,28,36)(H,30,33)(H,31,34)/t19-,20+,21-/m1/s1