tert-butyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]-phenylmethoxycarbonyl-amino]propanoate Openeye Name: tert-butyl (2S)-2-[benzyloxycarbonyl-[(2S)-2,6-diaminohexanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]-phenylmethoxycarbonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]-phenylmethoxycarbonylamino]propanoate Traditional Name: (2S)-2-[carbobenzoxy-[(2S)-2,6-diaminohexanoyl]amino]propionic acid tert-butyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)N(C(=O)C(CCCCN)N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@H](CCCCN)N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H33N3O5/c1-15(19(26)29-21(2,3)4)24(18(25)17(23)12-8-9-13-22)20(27)28-14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14,22-23H2,1-4H3/t15-,17-/m0/s1