4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(1R)-2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-1-oxo-3-phenylpropyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-keto-butyric acid Formula: C33H41N3O6 MolecularWeight: 575.69514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NCC(C2=CC=CC=C2)NC(=O)CCC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NC[C@@H](C2=CC=CC=C2)NC(=O)CCC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C33H41N3O6/c1-33(19-21-8-4-2-5-9-21,36-32(41)42-30-25-15-22-14-23(17-25)18-26(30)16-22)31(40)34-20-27(24-10-6-3-7-11-24)35-28(37)12-13-29(38)39/h2-11,22-23,25-27,30H,12-20H2,1H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t22?,23?,25?,26?,27-,30?,33?/m0/s1