(2R)-3-[4-aminocarbonyl-2-(thiophen-3-ylmethylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[4-aminocarbonyl-2-(thiophen-3-ylmethylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[4-carbamoyl-2-(3-thienylmethylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2R)-3-[[4-carbamoyl-2-(3-thiophenylmethylamino)phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2R)-3-[4-carbamoyl-2-(thiophen-3-ylmethylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2R)-3-[[4-carbamoyl-2-(3-thenylamino)phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C30H27N3O5S2 MolecularWeight: 573.68248

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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=CSC=C5)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=CSC=C5)C(=O)O

InChI

InChI=1S/C30H27N3O5S2/c31-28(34)19-9-10-27(25(13-19)32-14-18-11-12-39-16-18)40-17-26(29(35)36)33-30(37)38-15-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-13,16,24,26,32H,14-15,17H2,(H2,31,34)(H,33,37)(H,35,36)/t26-/m0/s1