(2R,3S)-3-acetyloxy-2-[[[2-[[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]carbonylamino]phenyl]-phenyl-methylidene]amino]butanoic acid

Systemtic Name: (2R,3S)-3-acetyloxy-2-[[[2-[[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]carbonylamino]phenyl]-phenyl-methylidene]amino]butanoic acid Openeye Name: (2R,3S)-3-acetoxy-2-[[[2-[[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenyl-methylene]amino]butanoic acid CAS Name: (2R,3S)-3-acetyloxy-2-[[[2-[[[(2S)-1-[(3,4-dichlorophenyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]phenyl]-phenylmethylidene]amino]butanoic acid IUPAC Name: (2R,3S)-3-acetyloxy-2-[[[2-[[(2S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]butanoic acid Traditional Name: (2R,3S)-3-acetoxy-2-[[[2-[[(2S)-1-(3,4-dichlorobenzyl)prolyl]amino]phenyl]-phenyl-methylene]amino]butyric acid Formula: C31H31Cl2N3O5 MolecularWeight: 596.50094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3CCCN3CC4=CC(=C(C=C4)Cl)Cl)OC(=O)C

Isomeric SMILES

C[C@@H]([C@H](C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)[C@@H]3CCCN3CC4=CC(=C(C=C4)Cl)Cl)OC(=O)C

InChI

InChI=1S/C31H31Cl2N3O5/c1-19(41-20(2)37)28(31(39)40)35-29(22-9-4-3-5-10-22)23-11-6-7-12-26(23)34-30(38)27-13-8-16-36(27)18-21-14-15-24(32)25(33)17-21/h3-7,9-12,14-15,17,19,27-28H,8,13,16,18H2,1-2H3,(H,34,38)(H,39,40)/t19-,27-,28+/m0/s1