(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)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxidanylidene-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)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxidanylidene-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-(3,3-diphenylpropylcarbamoyl)-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)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxopentan-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-(3,3-diphenylpropylamino)-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-(3,3-diphenylpropylcarbamoyl)-2-methyl-butyl]pyrrolidine-2-carboxamide Formula: C44H61N9O7 MolecularWeight: 828.01124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3CCCN3C(=O)CNC(=O)C(C)NC(=O)C(CC4=CN=CN4)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)[C@H]3CCCN3C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C44H61N9O7/c1-7-28(4)39(43(59)46-21-20-34(31-15-10-8-11-16-31)32-17-12-9-13-18-32)52-42(58)36-19-14-22-53(36)37(55)25-47-40(56)29(5)49-41(57)35(23-33-24-45-26-48-33)51-44(60)38(27(2)3)50-30(6)54/h8-13,15-18,24,26-29,34-36,38-39H,7,14,19-23,25H2,1-6H3,(H,45,48)(H,46,59)(H,47,56)(H,49,57)(H,50,54)(H,51,60)(H,52,58)/t28-,29-,35-,36+,38-,39-/m0/s1