(2S)-2-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-valeric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)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