(2S)-2-[[5-chloranyl-2-(2-methylpentylamino)phenyl]carbonylamino]-3-[4-(2-phenylmethoxyphenyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[5-chloranyl-2-(2-methylpentylamino)phenyl]carbonylamino]-3-[4-(2-phenylmethoxyphenyl)phenyl]propanoic acid Openeye Name: (2S)-3-[4-(2-benzyloxyphenyl)phenyl]-2-[[5-chloro-2-(2-methylpentylamino)benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[[5-chloro-2-(2-methylpentylamino)phenyl]-oxomethyl]amino]-3-[4-(2-phenylmethoxyphenyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[5-chloro-2-(2-methylpentylamino)benzoyl]amino]-3-[4-(2-phenylmethoxyphenyl)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(2-benzoxyphenyl)phenyl]-2-[[5-chloro-2-(2-methylpentylamino)benzoyl]amino]propionic acid Formula: C35H37ClN2O4 MolecularWeight: 585.13228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CNC1=C(C=C(C=C1)Cl)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC(C)CNC1=C(C=C(C=C1)Cl)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C35H37ClN2O4/c1-3-9-24(2)22-37-31-19-18-28(36)21-30(31)34(39)38-32(35(40)41)20-25-14-16-27(17-15-25)29-12-7-8-13-33(29)42-23-26-10-5-4-6-11-26/h4-8,10-19,21,24,32,37H,3,9,20,22-23H2,1-2H3,(H,38,39)(H,40,41)/t24?,32-/m0/s1