(2S)-2-[[(2R,4S)-2-(3-azanyl-3-oxidanylidene-propyl)-2-(didodecylamino)-4,7-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-oxidanylidene-heptanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2R,4S)-2-(3-azanyl-3-oxidanylidene-propyl)-2-(didodecylamino)-4,7-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-oxidanylidene-heptanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2R,4S)-2-(3-amino-3-oxo-propyl)-4,7-bis[tert-butoxycarbonyl-[3-(tert-butoxycarbonylamino)propyl]amino]-2-(didodecylamino)-3-oxo-heptanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2R,4S)-2-(3-amino-3-oxopropyl)-2-(didodecylamino)-4,7-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]-1,3-dioxoheptyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2R,4S)-2-(3-amino-3-oxopropyl)-2-(didodecylamino)-4,7-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-oxoheptanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2R,4S)-2-(3-amino-3-keto-propyl)-4,7-bis[tert-butoxycarbonyl-[3-(tert-butoxycarbonylamino)propyl]amino]-2-(dilaurylamino)-3-keto-heptanoyl]amino]glutaric acid Formula: C65H121N7O15 MolecularWeight: 1240.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCC(=O)N)(C(=O)C(CCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@](CCC(=O)N)(C(=O)[C@H](CCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C65H121N7O15/c1-15-17-19-21-23-25-27-29-31-33-47-71(48-34-32-30-28-26-24-22-20-18-16-2)65(42-41-52(66)73,56(79)69-50(55(77)78)39-40-53(74)75)54(76)51(72(60(83)87-64(12,13)14)49-37-44-68-58(81)85-62(6,7)8)38-35-45-70(59(82)86-63(9,10)11)46-36-43-67-57(80)84-61(3,4)5/h50-51H,15-49H2,1-14H3,(H2,66,73)(H,67,80)(H,68,81)(H,69,79)(H,74,75)(H,77,78)/t50-,51-,65+/m0/s1