(2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-3-hydroxy-2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]propanoic acid IUPAC Name: (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-hydroxy-propionic acid Formula: C25H31N3O8 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC(CO)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)N[C@@H](CO)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O8/c29-15-21(23(31)32)27-22(30)20(28-25(34)36-17-19-11-5-2-6-12-19)13-7-8-14-26-24(33)35-16-18-9-3-1-4-10-18/h1-6,9-12,20-21,29H,7-8,13-17H2,(H,26,33)(H,27,30)(H,28,34)(H,31,32)/t20?,21-/m0/s1