(2S)-2-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-3-methyl-butyric acid Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5/c1-13(2)16(18(24)25)22-17(23)15(10-6-7-11-20)21-19(26)27-12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12,20H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t15-,16-/m0/s1