(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-3-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-3-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-6-[bis(benzyloxycarbonylamino)methyleneamino]hexanoic acid CAS Name: (3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-3-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-3-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-6-[bis(benzyloxycarbonylamino)methyleneamino]hexanoic acid Formula: C31H34N4O8 MolecularWeight: 590.62366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C31H34N4O8/c36-27(37)19-26(33-29(38)41-20-23-11-4-1-5-12-23)17-10-18-32-28(34-30(39)42-21-24-13-6-2-7-14-24)35-31(40)43-22-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2,(H,33,38)(H,36,37)(H2,32,34,35,39,40)/t26-/m0/s1