(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)pentanoyl]amino]-3-methyl-valeric acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-4-9-15(17(22)21-16(18(23)24)13(3)5-2)20-19(25)26-12-14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/t13?,15-,16-/m0/s1