(2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C154H221N23O62S2 — CID 162116312

About (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 162116312) has the molecular formula C154H221N23O62S2 and a molecular weight of 3450.69 g/mol. Its IUPAC name is (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 162116312
• Molecular Formula: C154H221N23O62S2
• Molecular Weight: 3450.69 g/mol
• Exact Mass: 3448.43
• IUPAC Name: (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)CC(=O)[C@H](CS(=O)c3[nH]c4cc(OCCCCCCN(C)C(=O)OCc5ccc(OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c(C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)c6cc(COC(=O)N(C)CCCCCCOc7ccc8c9c([nH]c8c7)S(=O)C[C@@H]7NC(=O)ONC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@@H](CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]8C[C@@H](O)CN8C(=O)[C@H](CC(N)=O)CC7=O)C9)ccc6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(=O)CCCOCCOCCONC(=O)OC(C)(C)C)c5)ccc4c3C2)NC(=O)ONC1=O
• InChI: InChI=1S/C154H221N23O62S2/c1-12-79(3)121-139(207)171-238-149(215)165-102-77-240(220)141-95(55-85(133(201)160-67-117(191)167-121)57-109(185)123(81(5)111(187)71-178)169-137(205)104-63-89(180)69-176(104)143(209)87(59-107(102)183)61-115(155)189)93-31-29-91(65-100(93)163-141)228-41-22-16-14-20-38-174(10)152(218)230-73-83-27-33-113(233-147-129(199)125(195)127(197)131(235-147)145(211)212)97(53-83)135(203)158-36-43-223-47-49-226-75-119(193)157-35-19-18-25-99(106(182)26-24-40-222-45-46-225-51-52-232-173-151(217)237-154(7,8)9)162-120(194)76-227-50-48-224-44-37-159-136(204)98-54-84(28-34-114(98)234-148-130(200)126(196)128(198)132(236-148)146(213)214)74-231-153(219)175(11)39-21-15-17-23-42-229-92-30-32-94-96-56-86-58-110(186)124(82(6)112(188)72-179)170-138(206)105-64-90(181)70-177(105)144(210)88(62-116(156)190)60-108(184)103(78-241(221)142(96)164-101(94)66-92)166-150(216)239-172-140(208)122(80(4)13-2)168-118(192)68-161-134(86)202/h27-34,53-54,65-66,79-82,85-90,99,102-105,111-112,121-132,147-148,163-164,178-181,187-188,195-200H,12-26,35-52,55-64,67-78H2,1-11H3,(H2,155,189)(H2,156,190)(H,157,193)(H,158,203)(H,159,204)(H,160,201)(H,161,202)(H,162,194)(H,165,215)(H,166,216)(H,167,191)(H,168,192)(H,169,205)(H,170,206)(H,171,207)(H,172,208)(H,173,217)(H,211,212)(H,213,214)/t79-,80-,81-,82-,85+,86+,87-,88-,89+,90+,99-,102-,103-,104-,105-,111-,112-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130+,131-,132-,147?,148+,240?,241?/m0/s1
• InChIKey: QIMZGVNABNNJFN-LLLMBGFISA-N
• XLogP: -5.73
• TPSA: 1238.49 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 60
• Rotatable Bonds: 76
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3450.69
LogP ≤ 5	-5.73
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 162116312) is (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)CC(=O)[C@H](CS(=O)c3[nH]c4cc(OCCCCCCN(C)C(=O)OCc5ccc(OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c(C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)c6cc(COC(=O)N(C)CCCCCCOc7ccc8c9c([nH]c8c7)S(=O)C[C@@H]7NC(=O)ONC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@@H](CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]8C[C@@H](O)CN8C(=O)[C@H](CC(N)=O)CC7=O)C9)ccc6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(=O)CCCOCCOCCONC(=O)OC(C)(C)C)c5)ccc4c3C2)NC(=O)ONC1=O.

What is the InChIKey of (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is QIMZGVNABNNJFN-LLLMBGFISA-N. The full InChI is InChI=1S/C154H221N23O62S2/c1-12-79(3)121-139(207)171-238-149(215)165-102-77-240(220)141-95(55-85(133(201)160-67-117(191)167-121)57-109(185)123(81(5)111(187)71-178)169-137(205)104-63-89(180)69-176(104)143(209)87(59-107(102)183)61-115(155)189)93-31-29-91(65-100(93)163-141)228-41-22-16-14-20-38-174(10)152(218)230-73-83-27-33-113(233-147-129(199)125(195)127(197)131(235-147)145(211)212)97(53-83)135(203)158-36-43-223-47-49-226-75-119(193)157-35-19-18-25-99(106(182)26-24-40-222-45-46-225-51-52-232-173-151(217)237-154(7,8)9)162-120(194)76-227-50-48-224-44-37-159-136(204)98-54-84(28-34-114(98)234-148-130(200)126(196)128(198)132(236-148)146(213)214)74-231-153(219)175(11)39-21-15-17-23-42-229-92-30-32-94-96-56-86-58-110(186)124(82(6)112(188)72-179)170-138(206)105-64-90(181)70-177(105)144(210)88(62-116(156)190)60-108(184)103(78-241(221)142(96)164-101(94)66-92)166-150(216)239-172-140(208)122(80(4)13-2)168-118(192)68-161-134(86)202/h27-34,53-54,65-66,79-82,85-90,99,102-105,111-112,121-132,147-148,163-164,178-181,187-188,195-200H,12-26,35-52,55-64,67-78H2,1-11H3,(H2,155,189)(H2,156,190)(H,157,193)(H,158,203)(H,159,204)(H,160,201)(H,161,202)(H,162,194)(H,165,215)(H,166,216)(H,167,191)(H,168,192)(H,169,205)(H,170,206)(H,171,207)(H,172,208)(H,173,217)(H,211,212)(H,213,214)/t79-,80-,81-,82-,85+,86+,87-,88-,89+,90+,99-,102-,103-,104-,105-,111-,112-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130+,131-,132-,147?,148+,240?,241?/m0/s1.

What are the key properties of (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 3450.69 g/mol, XLogP of -5.73, 76 rotatable bonds, 33 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R)-6-[4-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[2-[2-[2-[[(5S)-5-[[2-[2-[2-[[5-[[6-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-31-oxa-27λ4-thia-6,12,25,29,32,35,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 162116312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).