(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide

C155H245N23O42S2 — CID 159035964

About (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide

(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide (PubChem CID 159035964) has the molecular formula C155H245N23O42S2 and a molecular weight of 3166.92 g/mol. Its IUPAC name is (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide.

Molecular Properties

• Compound Name: (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide
• PubChem CID: 159035964
• Molecular Formula: C155H245N23O42S2
• Molecular Weight: 3166.92 g/mol
• Exact Mass: 3164.72
• IUPAC Name: (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide
• SMILES: CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)C[C@H]1C[C@@H](O)[C@@H](OCCNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O.CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](OCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
• InChI: InChI=1S/C78H123N11O21S.C77H122N12O21S/c1-8-46(4)37-47(5)18-14-11-9-10-12-17-21-53(93)39-51-40-63(98)76(110-34-32-80-64(99)27-31-81-72(104)58(38-49-19-15-13-16-20-49)84-74(106)57(36-45(2)3)83-73(105)56(82-44-90)29-35-111-7)87-75(107)67-61(96)28-33-88(67)78(109)66(60(95)26-30-79)86-71(103)55(69(101)68(100)50-22-24-52(92)25-23-50)42-62(97)59-41-54(94)43-89(59)77(108)65(48(6)91)85-70(51)102;1-8-45(4)37-46(5)18-14-11-9-10-12-17-21-63(99)82-56-41-61(97)75(110-34-30-78)87-74(107)66-59(95)28-33-88(66)77(109)65(86-69(102)52(68(101)67(100)49-22-24-50(92)25-23-49)40-60(96)57-39-51(93)42-89(57)76(108)64(47(6)91)85-73(56)106)58(94)26-31-79-62(98)27-32-80-70(103)55(38-48-19-15-13-16-20-48)84-72(105)54(36-44(2)3)83-71(104)53(81-43-90)29-35-111-7/h13,15-16,19-20,22-25,44-48,51,54-61,63,65-69,76,91-92,94-96,98,100-101H,8-12,14,17-18,21,26-43,79H2,1-7H3,(H,80,99)(H,81,104)(H,82,90)(H,83,105)(H,84,106)(H,85,102)(H,86,103)(H,87,107);13,15-16,19-20,22-25,43-47,51-59,61,64-68,75,91-95,97,100-101H,8-12,14,17-18,21,26-42,78H2,1-7H3,(H,79,98)(H,80,103)(H,81,90)(H,82,99)(H,83,104)(H,84,105)(H,85,106)(H,86,102)(H,87,107)/t46-,47+,48+,51-,54+,55-,56-,57-,58-,59-,60+,61-,63+,65-,66-,67-,68-,69-,76+;45-,46+,47+,51+,52-,53-,54-,55-,56-,57-,58+,59-,61+,64-,65-,66-,67-,68-,75+/m00/s1
• InChIKey: JVLPZPUOLGAMAE-HTTLCEGKSA-N
• XLogP: -0.92
• TPSA: 1021.33 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 46
• Rotatable Bonds: 83
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3166.92
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide?

The IUPAC name of (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide (CID 159035964) is (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide.

What is the SMILES notation for (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide?

The canonical SMILES for (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide is CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)C[C@H]1C[C@@H](O)[C@@H](OCCNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O.CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](OCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O.

What is the InChIKey of (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide?

The InChIKey is JVLPZPUOLGAMAE-HTTLCEGKSA-N. The full InChI is InChI=1S/C78H123N11O21S.C77H122N12O21S/c1-8-46(4)37-47(5)18-14-11-9-10-12-17-21-53(93)39-51-40-63(98)76(110-34-32-80-64(99)27-31-81-72(104)58(38-49-19-15-13-16-20-49)84-74(106)57(36-45(2)3)83-73(105)56(82-44-90)29-35-111-7)87-75(107)67-61(96)28-33-88(67)78(109)66(60(95)26-30-79)86-71(103)55(69(101)68(100)50-22-24-52(92)25-23-50)42-62(97)59-41-54(94)43-89(59)77(108)65(48(6)91)85-70(51)102;1-8-45(4)37-46(5)18-14-11-9-10-12-17-21-63(99)82-56-41-61(97)75(110-34-30-78)87-74(107)66-59(95)28-33-88(66)77(109)65(86-69(102)52(68(101)67(100)49-22-24-50(92)25-23-49)40-60(96)57-39-51(93)42-89(57)76(108)64(47(6)91)85-73(56)106)58(94)26-31-79-62(98)27-32-80-70(103)55(38-48-19-15-13-16-20-48)84-72(105)54(36-44(2)3)83-71(104)53(81-43-90)29-35-111-7/h13,15-16,19-20,22-25,44-48,51,54-61,63,65-69,76,91-92,94-96,98,100-101H,8-12,14,17-18,21,26-43,79H2,1-7H3,(H,80,99)(H,81,104)(H,82,90)(H,83,105)(H,84,106)(H,85,102)(H,86,103)(H,87,107);13,15-16,19-20,22-25,43-47,51-59,61,64-68,75,91-95,97,100-101H,8-12,14,17-18,21,26-42,78H2,1-7H3,(H,79,98)(H,80,103)(H,81,90)(H,82,99)(H,83,104)(H,84,105)(H,85,106)(H,86,102)(H,87,107)/t46-,47+,48+,51-,54+,55-,56-,57-,58-,59-,60+,61-,63+,65-,66-,67-,68-,69-,76+;45-,46+,47+,51+,52-,53-,54-,55-,56-,57-,58+,59-,61+,64-,65-,66-,67-,68-,75+/m00/s1.

What are the key properties of (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide?

(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide has a molecular weight of 3166.92 g/mol, XLogP of -0.92, 83 rotatable bonds, 35 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-21-(2-aminoethoxy)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-3-[(1R)-3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-1-hydroxypropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;(2S)-N-[(2S)-1-[[3-[2-[[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-[(11R,13S)-11,13-dimethyl-2-oxopentadecyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethylamino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 159035964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).