tert-butyl (2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]-phenylmethoxycarbonyl-amino]propanoate Openeye Name: tert-butyl (2S)-2-[benzyloxycarbonyl-[(2S)-2,5-diaminopentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2,5-diamino-1-oxopentyl]-phenylmethoxycarbonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]-phenylmethoxycarbonylamino]propanoate Traditional Name: (2S)-2-[carbobenzoxy-[(2S)-2,5-diaminopentanoyl]amino]propionic acid tert-butyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-14(18(25)28-20(2,3)4)23(17(24)16(22)11-8-12-21)19(26)27-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,8,11-13,21-22H2,1-4H3/t14-,16-/m0/s1