(2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]ethanoyl]-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]ethanoyl]-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S,2S)-1-(benzylcarbamoyl)-2-methyl-butyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-N-[(2S,3S)-3-methyl-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S,2S)-1-(benzylcarbamoyl)-2-methyl-butyl]pyrrolidine-2-carboxamide Formula: C31H44N8O6 MolecularWeight: 624.73106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)CNC(=O)C(C)NC(=O)C(CC3=CN=CN3)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C

InChI

InChI=1S/C31H44N8O6/c1-5-19(2)27(31(45)33-15-22-10-7-6-8-11-22)38-30(44)25-12-9-13-39(25)26(41)17-34-28(42)20(3)36-29(43)24(37-21(4)40)14-23-16-32-18-35-23/h6-8,10-11,16,18-20,24-25,27H,5,9,12-15,17H2,1-4H3,(H,32,35)(H,33,45)(H,34,42)(H,36,43)(H,37,40)(H,38,44)/t19-,20-,24-,25+,27-/m0/s1