(2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid

C92H126N16O34S — CID 167713269

About (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid

(2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid (PubChem CID 167713269) has the molecular formula C92H126N16O34S and a molecular weight of 2032.16 g/mol. Its IUPAC name is (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid
• PubChem CID: 167713269
• Molecular Formula: C92H126N16O34S
• Molecular Weight: 2032.16 g/mol
• Exact Mass: 2030.83
• IUPAC Name: (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid
• SMILES: COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1C=C(C)C[C@H]1[C@H](O)N3C(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)COCCOCCNS(=O)(=O)NC(=O)OC[C@@H]3[C@@H]4CCc5c(nnn5C[C@H]5O[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@@H]6CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](NC(C)=O)[C@@H](O)[C@H]5O)CC[C@@H]43)C(C)C)cc1)N=C[C@@H]1CC(C)=CN1C2=O
• InChI: InChI=1S/C92H126N16O34S/c1-43(2)72(83(120)96-46(5)82(119)99-51-16-14-50(15-17-51)39-138-92(127)108-62-34-67(65(131-10)31-56(62)86(122)106-37-45(4)29-63(106)87(108)123)135-24-13-11-12-23-134-66-33-60-55(30-64(66)130-9)85(121)105-36-44(3)28-52(105)35-94-60)100-71(112)42-133-27-26-132-25-22-95-143(128,129)103-91(126)137-40-57-53-18-20-59-61(21-19-54(53)57)107(104-102-59)38-68-76(114)77(115)74(98-49(8)110)89(141-68)142-81-69(41-136-90-80(118)79(117)75(113)47(6)139-90)140-84(73(78(81)116)97-48(7)109)101-70(111)32-58(93)88(124)125/h14-17,30-31,33-37,43,46-47,52-54,57-58,63,68-69,72-81,84,87,89-90,95,113-118,123H,11-13,18-29,32,38-42,93H2,1-10H3,(H,96,120)(H,97,109)(H,98,110)(H,99,119)(H,100,112)(H,101,111)(H,103,126)(H,124,125)/t46-,47-,52-,53-,54+,57-,58-,63-,68+,69+,72-,73+,74+,75+,76-,77+,78+,79+,80-,81-,84+,87-,89-,90+/m0/s1
• InChIKey: ATWIPZWPFHCUHD-YFMMAQHESA-N
• XLogP: -1.34
• TPSA: 678.79 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.16
LogP ≤ 5	-1.34
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid?

The IUPAC name of (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid (CID 167713269) is (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid.

What is the SMILES notation for (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid?

The canonical SMILES for (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid is COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1C=C(C)C[C@H]1[C@H](O)N3C(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)COCCOCCNS(=O)(=O)NC(=O)OC[C@@H]3[C@@H]4CCc5c(nnn5C[C@H]5O[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@@H]6CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](NC(C)=O)[C@@H](O)[C@H]5O)CC[C@@H]43)C(C)C)cc1)N=C[C@@H]1CC(C)=CN1C2=O.

What is the InChIKey of (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid?

The InChIKey is ATWIPZWPFHCUHD-YFMMAQHESA-N. The full InChI is InChI=1S/C92H126N16O34S/c1-43(2)72(83(120)96-46(5)82(119)99-51-16-14-50(15-17-51)39-138-92(127)108-62-34-67(65(131-10)31-56(62)86(122)106-37-45(4)29-63(106)87(108)123)135-24-13-11-12-23-134-66-33-60-55(30-64(66)130-9)85(121)105-36-44(3)28-52(105)35-94-60)100-71(112)42-133-27-26-132-25-22-95-143(128,129)103-91(126)137-40-57-53-18-20-59-61(21-19-54(53)57)107(104-102-59)38-68-76(114)77(115)74(98-49(8)110)89(141-68)142-81-69(41-136-90-80(118)79(117)75(113)47(6)139-90)140-84(73(78(81)116)97-48(7)109)101-70(111)32-58(93)88(124)125/h14-17,30-31,33-37,43,46-47,52-54,57-58,63,68-69,72-81,84,87,89-90,95,113-118,123H,11-13,18-29,32,38-42,93H2,1-10H3,(H,96,120)(H,97,109)(H,98,110)(H,99,119)(H,100,112)(H,101,111)(H,103,126)(H,124,125)/t46-,47-,52-,53-,54+,57-,58-,63-,68+,69+,72-,73+,74+,75+,76-,77+,78+,79+,80-,81-,84+,87-,89-,90+/m0/s1.

What are the key properties of (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid?

(2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid has a molecular weight of 2032.16 g/mol, XLogP of -1.34, 43 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-6-[[(4S,5R,6R)-5-[2-[2-[2-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylsulfamoylcarbamoyloxymethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy-3-acetamido-4-hydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]amino]-2-amino-4-oxobutanoic acid is sourced from PubChem (CID 167713269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).