(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoate IUPAC Name: (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-mercapto-propionate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)[O-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CS)C(=O)[O-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C21H22N2O5S/c1-12(19(24)23-18(11-29)20(25)26)22-21(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,29H,10-11H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1/t12-,18+/m0/s1