(3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C120H186N14O40 — CID 140872141

About (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 140872141) has the molecular formula C120H186N14O40 and a molecular weight of 2464.87 g/mol. Its IUPAC name is (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 140872141
• Molecular Formula: C120H186N14O40
• Molecular Weight: 2464.87 g/mol
• Exact Mass: 2463.30
• IUPAC Name: (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)C[C@H](NC(=O)COCCOCCOCCOCCON)C(=O)Nc2ccc(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)c(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N3CCC[C@H]3[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c3ccccc3)OC)C(C)C)C(C)C)c2)ccc1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O)C(C)C
• InChI: InChI=1S/C120H186N14O40/c1-25-67(11)94(84(160-21)58-88(137)133-45-33-39-80(133)104(162-23)69(13)108(147)122-71(15)96(139)73-35-29-27-30-36-73)129(17)113(152)90(63(3)4)127-111(150)92(65(7)8)131(19)119(158)168-60-75-55-77(41-43-82(75)171-117-102(145)98(141)100(143)106(173-117)115(154)155)124-86(135)57-79(126-87(136)62-167-52-51-165-48-47-164-49-50-166-53-54-170-121)110(149)125-78-42-44-83(172-118-103(146)99(142)101(144)107(174-118)116(156)157)76(56-78)61-169-120(159)132(20)93(66(9)10)112(151)128-91(64(5)6)114(153)130(18)95(68(12)26-2)85(161-22)59-89(138)134-46-34-40-81(134)105(163-24)70(14)109(148)123-72(16)97(140)74-37-31-28-32-38-74/h27-32,35-38,41-44,55-56,63-72,79-81,84-85,90-107,117-118,139-146H,25-26,33-34,39-40,45-54,57-62,121H2,1-24H3,(H,122,147)(H,123,148)(H,124,135)(H,125,149)(H,126,136)(H,127,150)(H,128,151)(H,154,155)(H,156,157)/t67-,68-,69+,70+,71+,72+,79-,80-,81-,84+,85+,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100-,101-,102?,103?,104+,105+,106?,107?,117+,118+/m0/s1
• InChIKey: OWRARKYBRDOZTH-QAGQCFOOSA-N
• XLogP: 3.42
• TPSA: 726.47 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 70
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2464.87
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

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 (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 140872141) is (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)C[C@H](NC(=O)COCCOCCOCCOCCON)C(=O)Nc2ccc(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)c(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N3CCC[C@H]3[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c3ccccc3)OC)C(C)C)C(C)C)c2)ccc1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O)C(C)C.

What is the InChIKey of (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is OWRARKYBRDOZTH-QAGQCFOOSA-N. The full InChI is InChI=1S/C120H186N14O40/c1-25-67(11)94(84(160-21)58-88(137)133-45-33-39-80(133)104(162-23)69(13)108(147)122-71(15)96(139)73-35-29-27-30-36-73)129(17)113(152)90(63(3)4)127-111(150)92(65(7)8)131(19)119(158)168-60-75-55-77(41-43-82(75)171-117-102(145)98(141)100(143)106(173-117)115(154)155)124-86(135)57-79(126-87(136)62-167-52-51-165-48-47-164-49-50-166-53-54-170-121)110(149)125-78-42-44-83(172-118-103(146)99(142)101(144)107(174-118)116(156)157)76(56-78)61-169-120(159)132(20)93(66(9)10)112(151)128-91(64(5)6)114(153)130(18)95(68(12)26-2)85(161-22)59-89(138)134-46-34-40-81(134)105(163-24)70(14)109(148)123-72(16)97(140)74-37-31-28-32-38-74/h27-32,35-38,41-44,55-56,63-72,79-81,84-85,90-107,117-118,139-146H,25-26,33-34,39-40,45-54,57-62,121H2,1-24H3,(H,122,147)(H,123,148)(H,124,135)(H,125,149)(H,126,136)(H,127,150)(H,128,151)(H,154,155)(H,156,157)/t67-,68-,69+,70+,71+,72+,79-,80-,81-,84+,85+,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100-,101-,102?,103?,104+,105+,106?,107?,117+,118+/m0/s1.

What are the key properties of (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 2464.87 g/mol, XLogP of 3.42, 70 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 140872141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).