(phenylmethyl) (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]hexanoate Openeye Name: benzyl (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]hexanoate CAS Name: (2S)-6-[[2-adamantyloxy(oxo)methyl]amino]-2-[[(2S)-2-[[(2S)-6-[[2-adamantyloxy(oxo)methyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-5-amino-1,5-dioxopentyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-amino-5-oxopentanoyl]amino]hexanoate Traditional Name: (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]-5-amino-5-keto-pentanoyl]amino]hexanoic acid benzyl ester Formula: C51H76N6O11 MolecularWeight: 949.18274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCNC(=O)OC4C5CC6CC(C5)CC4C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCNC(=O)OC4C5CC6CC(C5)CC4C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C51H76N6O11/c1-51(2,3)68-50(64)57-39(13-7-9-17-53-48(62)66-43-35-21-31-19-32(23-35)24-36(43)22-31)45(59)55-40(15-16-42(52)58)46(60)56-41(47(61)65-29-30-11-5-4-6-12-30)14-8-10-18-54-49(63)67-44-37-25-33-20-34(27-37)28-38(44)26-33/h4-6,11-12,31-41,43-44H,7-10,13-29H2,1-3H3,(H2,52,58)(H,53,62)(H,54,63)(H,55,59)(H,56,60)(H,57,64)/t31?,32?,33?,34?,35?,36?,37?,38?,39-,40-,41-,43?,44?/m0/s1