(phenylmethyl) (4S)-4-(6-chloranyl-1H-benzimidazol-2-yl)-4-[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) (4S)-4-(6-chloranyl-1H-benzimidazol-2-yl)-4-[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]butanoate Openeye Name: benzyl (4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoate CAS Name: (4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoate Traditional Name: (4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]butyric acid benzyl ester Formula: C31H31ClN4O4 MolecularWeight: 559.05524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)Cl)C(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)Cl)C(=O)N5CCCC5

InChI

InChI=1S/C31H31ClN4O4/c1-20-17-22(9-11-24(20)31(39)36-15-5-6-16-36)30(38)35-26(29-33-25-12-10-23(32)18-27(25)34-29)13-14-28(37)40-19-21-7-3-2-4-8-21/h2-4,7-12,17-18,26H,5-6,13-16,19H2,1H3,(H,33,34)(H,35,38)/t26-/m0/s1