6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate

C323H518N16O30 — CID 161013595

About 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate

6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate (PubChem CID 161013595) has the molecular formula C323H518N16O30 and a molecular weight of 5105.78 g/mol. Its IUPAC name is 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate.

Molecular Properties

• Compound Name: 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate
• PubChem CID: 161013595
• Molecular Formula: C323H518N16O30
• Molecular Weight: 5105.78 g/mol
• Exact Mass: 5101.95
• IUPAC Name: 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate
• SMILES: C=C(C)C1CCC2(C(=O)NCCCCC(CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)NC(=O)OC(C)(C)C)C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12.C=C(C)C1CCC2(C(=O)NCCCCC(CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)NC(=O)OC(C)(C)C)C(=O)CCNCCC(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)C(=O)CCNCCC(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12
• InChI: InChI=1S/C162H260N8O15.C161H258N8O15/c1-101(2)108-53-79-159(87-83-151(24)112(132(108)159)45-49-124-147(20)71-61-128(174)143(12,13)120(147)57-75-155(124,151)28)137(179)166-91-37-33-41-105(118(172)69-99-165-97-67-107(136(178)184-32)43-35-39-93-168-139(181)161-81-55-110(103(5)6)134(161)114-47-51-126-149(22)73-63-130(176)145(16,17)122(149)59-77-157(126,30)153(114,26)85-89-161)65-95-163-98-68-117(171)106(42-34-38-92-167-138(180)160-80-54-109(102(3)4)133(160)113-46-50-125-148(21)72-62-129(175)144(14,15)121(148)58-76-156(125,29)152(113,25)84-88-160)66-96-164-100-70-119(173)116(170-141(183)185-142(9,10)11)44-36-40-94-169-140(182)162-82-56-111(104(7)8)135(162)115-48-52-127-150(23)74-64-131(177)146(18,19)123(150)60-78-158(127,31)154(115,27)86-90-162;1-100(2)107-52-78-158(86-82-150(24)111(131(107)158)44-48-123-146(20)70-60-127(173)142(12,13)119(146)56-74-154(123,150)28)136(179)165-90-36-32-40-104(117(171)68-98-164-96-66-106(135(177)178)42-34-38-92-167-138(181)160-80-54-109(102(5)6)133(160)113-46-50-125-148(22)72-62-129(175)144(16,17)121(148)58-76-156(125,30)152(113,26)84-88-160)64-94-162-97-67-116(170)105(41-33-37-91-166-137(180)159-79-53-108(101(3)4)132(159)112-45-49-124-147(21)71-61-128(174)143(14,15)120(147)57-75-155(124,29)151(112,25)83-87-159)65-95-163-99-69-118(172)115(169-140(183)184-141(9,10)11)43-35-39-93-168-139(182)161-81-55-110(103(7)8)134(161)114-47-51-126-149(23)73-63-130(176)145(18,19)122(149)59-77-157(126,31)153(114,27)85-89-161/h105-116,120-127,132-135,163-165H,1,3,5,7,33-100H2,2,4,6,8-32H3,(H,166,179)(H,167,180)(H,168,181)(H,169,182)(H,170,183);104-115,119-126,131-134,162-164H,1,3,5,7,32-99H2,2,4,6,8-31H3,(H,165,179)(H,166,180)(H,167,181)(H,168,182)(H,169,183)(H,177,178)/t105?,106?,107?,108?,109?,110?,111?,112-,113-,114-,115-,116?,120+,121+,122+,123+,124-,125-,126-,127-,132?,133?,134?,135?,147+,148+,149+,150+,151-,152-,153-,154-,155-,156-,157-,158-,159?,160?,161?,162?;104?,105?,106?,107?,108?,109?,110?,111-,112-,113-,114-,115?,119+,120+,121+,122+,123-,124-,125-,126-,131?,132?,133?,134?,146+,147+,148+,149+,150-,151-,152-,153-,154-,155-,156-,157-,158?,159?,160?,161?/m11/s1
• InChIKey: TXKWUXAAVQGSMT-IULIEQSDSA-N
• XLogP: 65.45
• TPSA: 684.22 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 35
• Rotatable Bonds: 102
• Heavy Atoms: 369
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5105.78
LogP ≤ 5	65.45
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate?

The IUPAC name of 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate (CID 161013595) is 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate.

What is the SMILES notation for 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate?

The canonical SMILES for 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate is C=C(C)C1CCC2(C(=O)NCCCCC(CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)NC(=O)OC(C)(C)C)C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12.C=C(C)C1CCC2(C(=O)NCCCCC(CCNCCC(=O)C(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)NC(=O)OC(C)(C)C)C(=O)CCNCCC(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)C(=O)CCNCCC(CCCCNC(=O)C34CCC(C(=C)C)C3[C@H]3CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12.

What is the InChIKey of 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate?

The InChIKey is TXKWUXAAVQGSMT-IULIEQSDSA-N. The full InChI is InChI=1S/C162H260N8O15.C161H258N8O15/c1-101(2)108-53-79-159(87-83-151(24)112(132(108)159)45-49-124-147(20)71-61-128(174)143(12,13)120(147)57-75-155(124,151)28)137(179)166-91-37-33-41-105(118(172)69-99-165-97-67-107(136(178)184-32)43-35-39-93-168-139(181)161-81-55-110(103(5)6)134(161)114-47-51-126-149(22)73-63-130(176)145(16,17)122(149)59-77-157(126,30)153(114,26)85-89-161)65-95-163-98-68-117(171)106(42-34-38-92-167-138(180)160-80-54-109(102(3)4)133(160)113-46-50-125-148(21)72-62-129(175)144(14,15)121(148)58-76-156(125,29)152(113,25)84-88-160)66-96-164-100-70-119(173)116(170-141(183)185-142(9,10)11)44-36-40-94-169-140(182)162-82-56-111(104(7)8)135(162)115-48-52-127-150(23)74-64-131(177)146(18,19)123(150)60-78-158(127,31)154(115,27)86-90-162;1-100(2)107-52-78-158(86-82-150(24)111(131(107)158)44-48-123-146(20)70-60-127(173)142(12,13)119(146)56-74-154(123,150)28)136(179)165-90-36-32-40-104(117(171)68-98-164-96-66-106(135(177)178)42-34-38-92-167-138(181)160-80-54-109(102(5)6)133(160)113-46-50-125-148(22)72-62-129(175)144(16,17)121(148)58-76-156(125,30)152(113,26)84-88-160)64-94-162-97-67-116(170)105(41-33-37-91-166-137(180)159-79-53-108(101(3)4)132(159)112-45-49-124-147(21)71-61-128(174)143(14,15)120(147)57-75-155(124,29)151(112,25)83-87-159)65-95-163-99-69-118(172)115(169-140(183)184-141(9,10)11)43-35-39-93-168-139(182)161-81-55-110(103(7)8)134(161)114-47-51-126-149(23)73-63-130(176)145(18,19)122(149)59-77-157(126,31)153(114,27)85-89-161/h105-116,120-127,132-135,163-165H,1,3,5,7,33-100H2,2,4,6,8-32H3,(H,166,179)(H,167,180)(H,168,181)(H,169,182)(H,170,183);104-115,119-126,131-134,162-164H,1,3,5,7,32-99H2,2,4,6,8-31H3,(H,165,179)(H,166,180)(H,167,181)(H,168,182)(H,169,183)(H,177,178)/t105?,106?,107?,108?,109?,110?,111?,112-,113-,114-,115-,116?,120+,121+,122+,123+,124-,125-,126-,127-,132?,133?,134?,135?,147+,148+,149+,150+,151-,152-,153-,154-,155-,156-,157-,158-,159?,160?,161?,162?;104?,105?,106?,107?,108?,109?,110?,111-,112-,113-,114-,115?,119+,120+,121+,122+,123-,124-,125-,126-,131?,132?,133?,134?,146+,147+,148+,149+,150-,151-,152-,153-,154-,155-,156-,157-,158?,159?,160?,161?/m11/s1.

What are the key properties of 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate?

6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate has a molecular weight of 5105.78 g/mol, XLogP of 65.45, 102 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoic acid;methyl 6-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-2-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[2-[[8-[[(5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]-3-oxooctyl]amino]ethyl]hexanoate is sourced from PubChem (CID 161013595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).