methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodanyl-1,3-benzoxazol-2-yl)butanoate

Systemtic Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodanyl-1,3-benzoxazol-2-yl)butanoate Openeye Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodo-1,3-benzoxazol-2-yl)butanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(4-iodo-1,3-benzoxazol-2-yl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodo-1,3-benzoxazol-2-yl)butanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodo-1,3-benzoxazol-2-yl)butyric acid methyl ester Formula: C27H23IN2O5 MolecularWeight: 582.38639

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=NC2=C(O1)C=CC=C2I)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

COC(=O)[C@H](CCC1=NC2=C(O1)C=CC=C2I)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H23IN2O5/c1-33-26(31)22(13-14-24-30-25-21(28)11-6-12-23(25)35-24)29-27(32)34-15-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-12,20,22H,13-15H2,1H3,(H,29,32)/t22-/m0/s1