(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-N-[(2S)-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]pentanamide

Systemtic Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-N-[(2S)-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]pentanamide Openeye Name: (2R)-N-[(1S)-1-benzyl-3-hydroxy-2-oxo-propyl]-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(3,5-dimethylanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-4-hydroxy-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-hydroxy-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide Traditional Name: (2R)-N-[(1S)-1-benzyl-3-hydroxy-2-keto-propyl]-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C49H62N6O7 MolecularWeight: 847.05258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC(CC4=CC=CC=C4)C(=O)CO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)CO)C

InChI

InChI=1S/C49H62N6O7/c1-31(2)22-40(45(58)51-39(44(57)30-56)27-35-16-10-7-11-17-35)52-47(60)42(28-36-18-12-8-13-19-36)54-46(59)41(23-32(3)4)53-48(61)43(29-37-20-14-9-15-21-37)55-49(62)50-38-25-33(5)24-34(6)26-38/h7-21,24-26,31-32,39-43,56H,22-23,27-30H2,1-6H3,(H,51,58)(H,52,60)(H,53,61)(H,54,59)(H2,50,55,62)/t39-,40+,41+,42-,43-/m0/s1