(2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-pentanoic acid CAS Name: (2S)-3-methyl-2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]pentanoic acid IUPAC Name: (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylpentanoic acid Traditional Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-valeric acid Formula: C28H37N3O7 MolecularWeight: 527.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O7/c1-3-20(2)24(26(33)34)31-25(32)23(30-28(36)38-19-22-14-8-5-9-15-22)16-10-11-17-29-27(35)37-18-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,3,10-11,16-19H2,1-2H3,(H,29,35)(H,30,36)(H,31,32)(H,33,34)/t20?,23?,24-/m0/s1