(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C134H176N20O41 — CID 170203930

About (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 170203930) has the molecular formula C134H176N20O41 and a molecular weight of 2722.98 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 170203930
• Molecular Formula: C134H176N20O41
• Molecular Weight: 2722.98 g/mol
• Exact Mass: 2721.23
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CNN(C)Cc1cc2cc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc(CNC(=O)CN(CCc4c5c(nc6ccccc46)-c4cc6c(c(=O)n4C5)COC(=O)[C@@]6(C)O)C(C)C)cc3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(C)C)ccc2n1CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(CNC(=O)CN(CCc2c3c(nc4ccccc24)-c2cc4c(c(=O)n2C3)COC(=O)[C@@]4(C)O)C(C)C)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
• InChI: InChI=1S/C134H176N20O41/c1-72(2)109(123(170)140-76(9)121(168)145-95-26-23-78(57-100(95)192-129-117(166)113(162)115(164)119(194-129)127(174)175)63-138-107(160)68-150(74(5)6)38-31-83-85-19-15-17-21-93(85)143-111-87(83)66-153-98(111)61-91-89(125(153)172)70-190-131(178)133(91,11)180)147-105(158)34-41-182-45-49-186-53-55-188-51-47-184-43-36-136-102(155)29-30-104(157)142-81-25-28-97-80(59-81)60-82(65-149(14)135-13)152(97)40-33-103(156)137-37-44-185-48-52-189-56-54-187-50-46-183-42-35-106(159)148-110(73(3)4)124(171)141-77(10)122(169)146-96-27-24-79(58-101(96)193-130-118(167)114(163)116(165)120(195-130)128(176)177)64-139-108(161)69-151(75(7)8)39-32-84-86-20-16-18-22-94(86)144-112-88(84)67-154-99(112)62-92-90(126(154)173)71-191-132(179)134(92,12)181/h15-28,57-62,72-77,109-110,113-120,129-130,135,162-167,180-181H,29-56,63-71H2,1-14H3,(H,136,155)(H,137,156)(H,138,160)(H,139,161)(H,140,170)(H,141,171)(H,142,157)(H,145,168)(H,146,169)(H,147,158)(H,148,159)(H,174,175)(H,176,177)/t76-,77-,109-,110-,113-,114-,115-,116-,117+,118+,119-,120-,129+,130+,133-,134-/m0/s1
• InChIKey: AQHWBHJBUPSAOH-BMLZEJMBSA-N
• XLogP: 0.72
• TPSA: 816.36 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 48
• Rotatable Bonds: 74
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2722.98
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 170203930) is (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is CNN(C)Cc1cc2cc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc(CNC(=O)CN(CCc4c5c(nc6ccccc46)-c4cc6c(c(=O)n4C5)COC(=O)[C@@]6(C)O)C(C)C)cc3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(C)C)ccc2n1CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(CNC(=O)CN(CCc2c3c(nc4ccccc24)-c2cc4c(c(=O)n2C3)COC(=O)[C@@]4(C)O)C(C)C)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C.

What is the InChIKey of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is AQHWBHJBUPSAOH-BMLZEJMBSA-N. The full InChI is InChI=1S/C134H176N20O41/c1-72(2)109(123(170)140-76(9)121(168)145-95-26-23-78(57-100(95)192-129-117(166)113(162)115(164)119(194-129)127(174)175)63-138-107(160)68-150(74(5)6)38-31-83-85-19-15-17-21-93(85)143-111-87(83)66-153-98(111)61-91-89(125(153)172)70-190-131(178)133(91,11)180)147-105(158)34-41-182-45-49-186-53-55-188-51-47-184-43-36-136-102(155)29-30-104(157)142-81-25-28-97-80(59-81)60-82(65-149(14)135-13)152(97)40-33-103(156)137-37-44-185-48-52-189-56-54-187-50-46-183-42-35-106(159)148-110(73(3)4)124(171)141-77(10)122(169)146-96-27-24-79(58-101(96)193-130-118(167)114(163)116(165)120(195-130)128(176)177)64-139-108(161)69-151(75(7)8)39-32-84-86-20-16-18-22-94(86)144-112-88(84)67-154-99(112)62-92-90(126(154)173)71-191-132(179)134(92,12)181/h15-28,57-62,72-77,109-110,113-120,129-130,135,162-167,180-181H,29-56,63-71H2,1-14H3,(H,136,155)(H,137,156)(H,138,160)(H,139,161)(H,140,170)(H,141,171)(H,142,157)(H,145,168)(H,146,169)(H,147,158)(H,148,159)(H,174,175)(H,176,177)/t76-,77-,109-,110-,113-,114-,115-,116-,117+,118+,119-,120-,129+,130+,133-,134-/m0/s1.

What are the key properties of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 2722.98 g/mol, XLogP of 0.72, 74 rotatable bonds, 22 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 170203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).