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

Systemtic Name: tert-butyl 3-oxidanylidene-3-[[(5S)-6-oxidanylidene-6-phenylazanyl-5-(phenylmethoxycarbonylamino)hexyl]amino]propanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H35N3O6/c1-27(2,3)36-24(32)18-23(31)28-17-11-10-16-22(25(33)29-21-14-8-5-9-15-21)30-26(34)35-19-20-12-6-4-7-13-20/h4-9,12-15,22H,10-11,16-19H2,1-3H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1