(phenylmethyl) 3-oxidanylidene-3-[[(5S)-6-oxidanylidene-6-phenylazanyl-5-(phenylmethoxycarbonylamino)hexyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-oxidanylidene-3-[[(5S)-6-oxidanylidene-6-phenylazanyl-5-(phenylmethoxycarbonylamino)hexyl]amino]propanoate Openeye Name: benzyl 3-[[(5S)-6-anilino-5-(benzyloxycarbonylamino)-6-oxo-hexyl]amino]-3-oxo-propanoate CAS Name: 3-[[(5S)-6-anilino-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(5S)-6-anilino-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-3-oxopropanoate Traditional Name: 3-[[(5S)-6-anilino-5-(benzyloxycarbonylamino)-6-keto-hexyl]amino]-3-keto-propionic acid benzyl ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(=O)NCCCCC(C(=O)NC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(=O)NCCCC[C@@H](C(=O)NC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O6/c34-27(20-28(35)38-21-23-12-4-1-5-13-23)31-19-11-10-18-26(29(36)32-25-16-8-3-9-17-25)33-30(37)39-22-24-14-6-2-7-15-24/h1-9,12-17,26H,10-11,18-22H2,(H,31,34)(H,32,36)(H,33,37)/t26-/m0/s1