(2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-5-(cyclohexoxy)-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-[[2-adamantyloxy(oxo)methyl]amino]-2-[[(2S)-5-cyclohexyloxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-4-(2-adamantyloxy)-2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-5-(cyclohexoxy)-5-keto-pentanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]propanoyl]proline Formula: C55H84N6O14 MolecularWeight: 1053.28726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(=O)OC2C3CC4CC(C3)CC2C4)NC(=O)C(CCCCNC(=O)OC5C6CC7CC(C6)CC5C7)NC(=O)C(CCC(=O)OC8CCCCC8)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC(=O)OC2C3CC4CC(C3)CC2C4)NC(=O)[C@H](CCCCNC(=O)OC5C6CC7CC(C6)CC5C7)NC(=O)[C@H](CCC(=O)OC8CCCCC8)NC(=O)OC(C)(C)C

InChI

InChI=1S/C55H84N6O14/c1-30(51(67)61-18-10-14-43(61)52(68)69)57-50(66)42(29-45(63)73-46-35-21-31-19-32(23-35)24-36(46)22-31)59-48(64)40(13-8-9-17-56-53(70)74-47-37-25-33-20-34(27-37)28-38(47)26-33)58-49(65)41(60-54(71)75-55(2,3)4)15-16-44(62)72-39-11-6-5-7-12-39/h30-43,46-47H,5-29H2,1-4H3,(H,56,70)(H,57,66)(H,58,65)(H,59,64)(H,60,71)(H,68,69)/t30-,31?,32?,33?,34?,35?,36?,37?,38?,40-,41-,42-,43-,46?,47?/m0/s1