2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC(CS)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H26N2O5S/c30-25(28-24(16-35)26(31)32)23(14-17-8-2-1-3-9-17)29-27(33)34-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-24,35H,14-16H2,(H,28,30)(H,29,33)(H,31,32)/t23-,24?/m0/s1