(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-(phenethylamino)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-(phenethylamino)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)-2-methyl-1-(phenethylcarbamoyl)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-(phenethylamino)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)-3-methyl-1-oxo-1-(phenethylamino)pentan-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)-2-methyl-1-(phenethylcarbamoyl)butyl]pyrrolidine-2-carboxamide Formula: C37H55N9O7 MolecularWeight: 737.8887

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=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)NCCC1=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/C37H55N9O7/c1-7-23(4)32(36(52)39-16-15-26-12-9-8-10-13-26)45-35(51)29-14-11-17-46(29)30(48)20-40-33(49)24(5)42-34(50)28(18-27-19-38-21-41-27)44-37(53)31(22(2)3)43-25(6)47/h8-10,12-13,19,21-24,28-29,31-32H,7,11,14-18,20H2,1-6H3,(H,38,41)(H,39,52)(H,40,49)(H,42,50)(H,43,47)(H,44,53)(H,45,51)/t23-,24-,28-,29+,31-,32-/m0/s1