(2R)-3-[4-aminocarbonyl-2-[(6-cyanopyridin-3-yl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[4-aminocarbonyl-2-[(6-cyanopyridin-3-yl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[4-carbamoyl-2-[(6-cyano-3-pyridyl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2R)-3-[[4-carbamoyl-2-[(6-cyano-3-pyridinyl)methylamino]phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2R)-3-[4-carbamoyl-2-[(6-cyanopyridin-3-yl)methylamino]phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2R)-3-[[4-carbamoyl-2-[(6-cyano-3-pyridyl)methylamino]phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C32H27N5O5S MolecularWeight: 593.65228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CSC4=C(C=C(C=C4)C(=O)N)NCC5=CN=C(C=C5)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CSC4=C(C=C(C=C4)C(=O)N)NCC5=CN=C(C=C5)C#N)C(=O)O

InChI

InChI=1S/C32H27N5O5S/c33-14-21-11-9-19(15-35-21)16-36-27-13-20(30(34)38)10-12-29(27)43-18-28(31(39)40)37-32(41)42-17-26-24-7-3-1-5-22(24)23-6-2-4-8-25(23)26/h1-13,15,26,28,36H,16-18H2,(H2,34,38)(H,37,41)(H,39,40)/t28-/m0/s1