(2S)-3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S)-3-methyl-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-valeric acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-5-14(4)17(19(24)25)22-18(23)16(11-13(2)3)21-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23)(H,24,25)/t14?,16?,17-/m0/s1