(2S)-2-[[(2S)-6-azaniumyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(2S)-6-azaniumyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-6-azaniumyl-2-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-6-ammonio-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-6-azaniumyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-6-ammonio-2-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-valerate Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(CCCC[NH3+])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H31N3O5/c1-14(2)12-17(19(25)26)22-18(24)16(10-6-7-11-21)23-20(27)28-13-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13,21H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t16-,17-/m0/s1