(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-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-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-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-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-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-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-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-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-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-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S,2S)-1-(benzylcarbamoyl)-2-methyl-butyl]pyrrolidine-2-carboxamide Formula: C36H53N9O7 MolecularWeight: 723.86212

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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(C(C)C)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@H](C(C)C)NC(=O)C

InChI

InChI=1S/C36H53N9O7/c1-7-22(4)31(35(51)38-17-25-12-9-8-10-13-25)44-34(50)28-14-11-15-45(28)29(47)19-39-32(48)23(5)41-33(49)27(16-26-18-37-20-40-26)43-36(52)30(21(2)3)42-24(6)46/h8-10,12-13,18,20-23,27-28,30-31H,7,11,14-17,19H2,1-6H3,(H,37,40)(H,38,51)(H,39,48)(H,41,49)(H,42,46)(H,43,52)(H,44,50)/t22-,23-,27-,28+,30-,31-/m0/s1