(2R)-6-[2,3-bis[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]propanoylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2R)-6-[2,3-bis[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]propanoylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2R)-2-(benzyloxycarbonylamino)-6-[2,3-bis[bis(2-tert-butoxy-2-oxo-ethyl)amino]propanoylamino]hexanoic acid CAS Name: (2R)-6-[[2,3-bis[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2R)-6-[2,3-bis[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2R)-2-(benzyloxycarbonylamino)-6-[2,3-bis[bis(2-tert-butoxy-2-keto-ethyl)amino]propanoylamino]hexanoic acid Formula: C41H66N4O13 MolecularWeight: 822.98174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CC(C(=O)NCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN(CC(C(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C41H66N4O13/c1-38(2,3)55-31(46)23-44(24-32(47)56-39(4,5)6)22-30(45(25-33(48)57-40(7,8)9)26-34(49)58-41(10,11)12)35(50)42-21-17-16-20-29(36(51)52)43-37(53)54-27-28-18-14-13-15-19-28/h13-15,18-19,29-30H,16-17,20-27H2,1-12H3,(H,42,50)(H,43,53)(H,51,52)/t29-,30?/m1/s1