(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane

C287H383F4N51O85S4 — CID 163642573

About (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane

(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane (PubChem CID 163642573) has the molecular formula C287H383F4N51O85S4 and a molecular weight of 6111.75 g/mol. Its IUPAC name is (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane.

Molecular Properties

• Compound Name: (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane
• PubChem CID: 163642573
• Molecular Formula: C287H383F4N51O85S4
• Molecular Weight: 6111.75 g/mol
• Exact Mass: 6107.60
• IUPAC Name: (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane
• SMILES: C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2[C@@H](NC(=O)COCNC(=O)CNC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc3ccc(COC(=O)NCC(=O)NCOCC(=O)N[C@H]5CCc6c(C)c(F)cc7nc8c(c5c67)Cn5c-8cc6c(c5=O)COC(=O)[C@]6(O)CC)cc3)C(C)C)NC(=O)CCOCCOCCNC(=O)COC3C#CCCCCC3)C(C)C)cc2)CC4)[C@@]1(O)CC.C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2[C@@H](NC(=O)COCNC(=O)CNC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc3ccc(COC(=O)NCC(=O)NCOCC(=O)N[C@H]5CCc6c(C)c(F)cc7nc8c(c5c67)Cn5c-8cc6c(c5=O)COC(=O)[C@]6(O)CC)cc3)C(C)C)NC(=O)COC3C#CCCCCC3)C(C)C)cc2)CC4)[C@@]1(O)CC.S.S.S.S
• InChI: InChI=1S/C147H194F2N26O44.C140H181F2N25O41.4H2S/c1-10-146(203)86(9)215-75-97-99(146)63-111-131-95(69-174(111)139(97)196)127-103(33-31-93-84(7)101(148)65-109(168-131)125(93)127)164-121(184)77-213-80-159-118(181)67-157-144(201)218-71-87-23-27-89(28-24-87)162-133(190)105(21-17-44-155-142(150)199)170-137(194)129(82(3)4)172-135(192)107(35-37-123(186)187)166-116(179)42-50-206-58-60-208-54-46-152-113(176)39-52-211-73-91(161-115(178)41-49-205-57-62-210-56-48-154-120(183)79-216-92-19-15-13-12-14-16-20-92)74-212-53-40-114(177)153-47-55-209-61-59-207-51-43-117(180)167-108(36-38-124(188)189)136(193)173-130(83(5)6)138(195)171-106(22-18-45-156-143(151)200)134(191)163-90-29-25-88(26-30-90)72-219-145(202)158-68-119(182)160-81-214-78-122(185)165-104-34-32-94-85(8)102(149)66-110-126(94)128(104)96-70-175-112(132(96)169-110)64-100-98(140(175)197)76-217-141(198)147(100,204)11-2;1-10-139(194)80(9)204-69-91-93(139)57-105-124-89(63-166(105)132(91)187)120-97(33-31-87-78(7)95(141)59-103(160-124)118(87)120)156-113(174)71-202-74-151-111(172)61-149-137(192)207-65-81-23-27-83(28-24-81)154-126(181)99(21-17-43-147-135(143)190)162-130(185)122(76(3)4)164-128(183)101(35-37-116(177)178)158-109(170)41-47-196-53-55-198-51-45-145-107(168)39-49-200-67-85(153-115(176)73-205-86-19-15-13-12-14-16-20-86)68-201-50-40-108(169)146-46-52-199-56-54-197-48-42-110(171)159-102(36-38-117(179)180)129(184)165-123(77(5)6)131(186)163-100(22-18-44-148-136(144)191)127(182)155-84-29-25-82(26-30-84)66-208-138(193)150-62-112(173)152-75-203-72-114(175)157-98-34-32-88-79(8)96(142)60-104-119(88)121(98)90-64-167-106(125(90)161-104)58-94-92(133(167)188)70-206-134(189)140(94,195)11-2;;;;/h23-30,63-66,82-83,91-92,103-108,129-130,203-204H,9-15,17-19,21-22,31-62,67-81H2,1-8H3,(H,152,176)(H,153,177)(H,154,183)(H,157,201)(H,158,202)(H,159,181)(H,160,182)(H,161,178)(H,162,190)(H,163,191)(H,164,184)(H,165,185)(H,166,179)(H,167,180)(H,170,194)(H,171,195)(H,172,192)(H,173,193)(H,186,187)(H,188,189)(H3,150,155,199)(H3,151,156,200);23-30,57-60,76-77,85-86,97-102,122-123,194-195H,9-15,17-19,21-22,31-56,61-75H2,1-8H3,(H,145,168)(H,146,169)(H,149,192)(H,150,193)(H,151,172)(H,152,173)(H,153,176)(H,154,181)(H,155,182)(H,156,174)(H,157,175)(H,158,170)(H,159,171)(H,162,185)(H,163,186)(H,164,183)(H,165,184)(H,177,178)(H,179,180)(H3,143,147,190)(H3,144,148,191);4*1H2/t91?,92?,103-,104-,105-,106-,107-,108-,129-,130-,146+,147-;85?,86?,97-,98-,99-,100-,101-,102-,122-,123-,139+,140-;;;;/m00..../s1
• InChIKey: IFNLRBWOGVDLEJ-WFKIJKSUSA-N
• XLogP: 5.49
• TPSA: 1901.24 Ų
• H-Bond Donors: 51
• H-Bond Acceptors: 89
• Rotatable Bonds: 173
• Heavy Atoms: 431
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6111.75
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	51
H-Bond Acceptors ≤ 10	89

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane?

The IUPAC name of (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane (CID 163642573) is (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane.

What is the SMILES notation for (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane?

The canonical SMILES for (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane is C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2[C@@H](NC(=O)COCNC(=O)CNC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc3ccc(COC(=O)NCC(=O)NCOCC(=O)N[C@H]5CCc6c(C)c(F)cc7nc8c(c5c67)Cn5c-8cc6c(c5=O)COC(=O)[C@]6(O)CC)cc3)C(C)C)NC(=O)CCOCCOCCNC(=O)COC3C#CCCCCC3)C(C)C)cc2)CC4)[C@@]1(O)CC.C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2[C@@H](NC(=O)COCNC(=O)CNC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc3ccc(COC(=O)NCC(=O)NCOCC(=O)N[C@H]5CCc6c(C)c(F)cc7nc8c(c5c67)Cn5c-8cc6c(c5=O)COC(=O)[C@]6(O)CC)cc3)C(C)C)NC(=O)COC3C#CCCCCC3)C(C)C)cc2)CC4)[C@@]1(O)CC.S.S.S.S.

What is the InChIKey of (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane?

The InChIKey is IFNLRBWOGVDLEJ-WFKIJKSUSA-N. The full InChI is InChI=1S/C147H194F2N26O44.C140H181F2N25O41.4H2S/c1-10-146(203)86(9)215-75-97-99(146)63-111-131-95(69-174(111)139(97)196)127-103(33-31-93-84(7)101(148)65-109(168-131)125(93)127)164-121(184)77-213-80-159-118(181)67-157-144(201)218-71-87-23-27-89(28-24-87)162-133(190)105(21-17-44-155-142(150)199)170-137(194)129(82(3)4)172-135(192)107(35-37-123(186)187)166-116(179)42-50-206-58-60-208-54-46-152-113(176)39-52-211-73-91(161-115(178)41-49-205-57-62-210-56-48-154-120(183)79-216-92-19-15-13-12-14-16-20-92)74-212-53-40-114(177)153-47-55-209-61-59-207-51-43-117(180)167-108(36-38-124(188)189)136(193)173-130(83(5)6)138(195)171-106(22-18-45-156-143(151)200)134(191)163-90-29-25-88(26-30-90)72-219-145(202)158-68-119(182)160-81-214-78-122(185)165-104-34-32-94-85(8)102(149)66-110-126(94)128(104)96-70-175-112(132(96)169-110)64-100-98(140(175)197)76-217-141(198)147(100,204)11-2;1-10-139(194)80(9)204-69-91-93(139)57-105-124-89(63-166(105)132(91)187)120-97(33-31-87-78(7)95(141)59-103(160-124)118(87)120)156-113(174)71-202-74-151-111(172)61-149-137(192)207-65-81-23-27-83(28-24-81)154-126(181)99(21-17-43-147-135(143)190)162-130(185)122(76(3)4)164-128(183)101(35-37-116(177)178)158-109(170)41-47-196-53-55-198-51-45-145-107(168)39-49-200-67-85(153-115(176)73-205-86-19-15-13-12-14-16-20-86)68-201-50-40-108(169)146-46-52-199-56-54-197-48-42-110(171)159-102(36-38-117(179)180)129(184)165-123(77(5)6)131(186)163-100(22-18-44-148-136(144)191)127(182)155-84-29-25-82(26-30-84)66-208-138(193)150-62-112(173)152-75-203-72-114(175)157-98-34-32-88-79(8)96(142)60-104-119(88)121(98)90-64-167-106(125(90)161-104)58-94-92(133(167)188)70-206-134(189)140(94,195)11-2;;;;/h23-30,63-66,82-83,91-92,103-108,129-130,203-204H,9-15,17-19,21-22,31-62,67-81H2,1-8H3,(H,152,176)(H,153,177)(H,154,183)(H,157,201)(H,158,202)(H,159,181)(H,160,182)(H,161,178)(H,162,190)(H,163,191)(H,164,184)(H,165,185)(H,166,179)(H,167,180)(H,170,194)(H,171,195)(H,172,192)(H,173,193)(H,186,187)(H,188,189)(H3,150,155,199)(H3,151,156,200);23-30,57-60,76-77,85-86,97-102,122-123,194-195H,9-15,17-19,21-22,31-56,61-75H2,1-8H3,(H,145,168)(H,146,169)(H,149,192)(H,150,193)(H,151,172)(H,152,173)(H,153,176)(H,154,181)(H,155,182)(H,156,174)(H,157,175)(H,158,170)(H,159,171)(H,162,185)(H,163,186)(H,164,183)(H,165,184)(H,177,178)(H,179,180)(H3,143,147,190)(H3,144,148,191);4*1H2/t91?,92?,103-,104-,105-,106-,107-,108-,129-,130-,146+,147-;85?,86?,97-,98-,99-,100-,101-,102-,122-,123-,139+,140-;;;;/m00..../s1.

What are the key properties of (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane?

(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane has a molecular weight of 6111.75 g/mol, XLogP of 5.49, 173 rotatable bonds, 51 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(4S)-4-[3-[2-[2-[3-[3-[3-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]propoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-methylidene-5-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;sulfane is sourced from PubChem (CID 163642573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).