2-chloranyl-3-[[(3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-chloranyl-3-[[(3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[(3S)-3-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butyl]-hydroxy-phosphoryl]-2-chloro-propanoic acid CAS Name: 2-chloro-3-[hydroxy-[(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]phosphoryl]propanoic acid IUPAC Name: 2-chloro-3-[hydroxy-[(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]phosphoryl]propanoic acid Traditional Name: 3-[[(3S)-3-(benzyloxycarbonylamino)-4-keto-4-methoxy-butyl]-hydroxy-phosphoryl]-2-chloro-propionic acid Formula: C16H21ClNO8P MolecularWeight: 421.766601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCP(=O)(CC(C(=O)O)Cl)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCP(=O)(CC(C(=O)O)Cl)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21ClNO8P/c1-25-15(21)13(7-8-27(23,24)10-12(17)14(19)20)18-16(22)26-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,22)(H,19,20)(H,23,24)/t12?,13-/m0/s1