(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[4-(phenylmethylsulfanyl)butyl]amino]-3-(1-methanoylindol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[4-(phenylmethylsulfanyl)butyl]amino]-3-(1-methanoylindol-3-yl)propanoic acid Openeye Name: (2S)-2-[4-benzylsulfanylbutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(1-formylindol-3-yl)propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-[4-(phenylmethylthio)butyl]amino]-3-(1-formyl-3-indolyl)propanoic acid IUPAC Name: (2S)-2-[4-benzylsulfanylbutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(1-formylindol-3-yl)propanoic acid Traditional Name: (2S)-2-[4-(benzylthio)butyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(1-formylindol-3-yl)propionic acid Formula: C38H36N2O5S MolecularWeight: 632.76784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCN(C(CC2=CN(C3=CC=CC=C32)C=O)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCN([C@@H](CC2=CN(C3=CC=CC=C32)C=O)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C38H36N2O5S/c41-26-39-23-28(29-14-8-9-19-35(29)39)22-36(37(42)43)40(20-10-11-21-46-25-27-12-2-1-3-13-27)38(44)45-24-34-32-17-6-4-15-30(32)31-16-5-7-18-33(31)34/h1-9,12-19,23,26,34,36H,10-11,20-22,24-25H2,(H,42,43)/t36-/m0/s1