(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O5/c31-26(18-10-11-19-32-30(36)38-22-25-16-8-3-9-17-25)28(34)33-27(20-23-12-4-1-5-13-23)29(35)37-21-24-14-6-2-7-15-24/h1-9,12-17,26-27H,10-11,18-22,31H2,(H,32,36)(H,33,34)/t26-,27-/m0/s1