(2S)-3-naphthalen-2-yl-2-[[(2S)-1-[4-(phenylcarbamoylamino)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-naphthalen-2-yl-2-[[(2S)-1-[4-(phenylcarbamoylamino)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-(2-naphthyl)-2-[[(2S)-1-[4-(phenylcarbamoylamino)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[4-[[anilino(oxo)methyl]amino]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: (2S)-3-naphthalen-2-yl-2-[[(2S)-1-[4-(phenylcarbamoylamino)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-(2-naphthyl)-2-[[(2S)-1-[4-(phenylcarbamoylamino)phenyl]sulfonylprolyl]amino]propionic acid Formula: C31H30N4O6S MolecularWeight: 586.6581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H30N4O6S/c36-29(34-27(30(37)38)20-21-12-13-22-7-4-5-8-23(22)19-21)28-11-6-18-35(28)42(40,41)26-16-14-25(15-17-26)33-31(39)32-24-9-2-1-3-10-24/h1-5,7-10,12-17,19,27-28H,6,11,18,20H2,(H,34,36)(H,37,38)(H2,32,33,39)/t27-,28-/m0/s1