(2S)-2-[[[2-[[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]carbonylamino]phenyl]-phenyl-methylidene]amino]-2-methyl-pent-4-enoic acid

Systemtic Name: (2S)-2-[[[2-[[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]carbonylamino]phenyl]-phenyl-methylidene]amino]-2-methyl-pent-4-enoic acid Openeye Name: (2S)-2-[[[2-[[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenyl-methylene]amino]-2-methyl-pent-4-enoic acid CAS Name: (2S)-2-[[[2-[[[(2S)-1-[(2-chlorophenyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]phenyl]-phenylmethylidene]amino]-2-methyl-4-pentenoic acid IUPAC Name: (2S)-2-[[[2-[[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-2-methylpent-4-enoic acid Traditional Name: (2S)-2-[[[2-[[(2S)-1-(2-chlorobenzyl)prolyl]amino]phenyl]-phenyl-methylene]amino]-2-methyl-pent-4-enoic acid Formula: C31H32ClN3O3 MolecularWeight: 530.05708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3CCCN3CC4=CC=CC=C4Cl

Isomeric SMILES

C[C@](CC=C)(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)[C@@H]3CCCN3CC4=CC=CC=C4Cl

InChI

InChI=1S/C31H32ClN3O3/c1-3-19-31(2,30(37)38)34-28(22-12-5-4-6-13-22)24-15-8-10-17-26(24)33-29(36)27-18-11-20-35(27)21-23-14-7-9-16-25(23)32/h3-10,12-17,27H,1,11,18-21H2,2H3,(H,33,36)(H,37,38)/t27-,31-/m0/s1