(2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide

C60H109N11O13 — CID 162896443

About (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide

(2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide (PubChem CID 162896443) has the molecular formula C60H109N11O13 and a molecular weight of 1192.60 g/mol. Its IUPAC name is (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 162896443
• Molecular Formula: C60H109N11O13
• Molecular Weight: 1192.60 g/mol
• Exact Mass: 1191.82
• IUPAC Name: (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide
• SMILES: CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)CCO)[C@@H](C)CC
• InChI: InChI=1S/C60H109N11O13/c1-18-21-22-23-24-25-27-38(6)54(81)71-29-26-28-46(71)52(79)65-45(33-36(4)32-44(74)34-43(73)20-3)51(78)62-41(9)49(76)68-60(15,16)57(84)69-59(13,14)56(83)66-47(37(5)19-2)53(80)63-42(10)50(77)67-58(11,12)55(82)64-40(8)48(75)61-39(7)35-70(17)30-31-72/h36-42,44-47,72,74H,18-35H2,1-17H3,(H,61,75)(H,62,78)(H,63,80)(H,64,82)(H,65,79)(H,66,83)(H,67,77)(H,68,76)(H,69,84)/t36-,37+,38-,39+,40+,41+,42+,44+,45+,46-,47+/m1/s1
• InChIKey: PQSSMDXDNWMTHK-ATGVRMNCSA-N
• XLogP: 2.15
• TPSA: 342.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 39
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1192.60
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide (CID 162896443) is (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide is CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)CCO)[C@@H](C)CC.

What is the InChIKey of (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide?

The InChIKey is PQSSMDXDNWMTHK-ATGVRMNCSA-N. The full InChI is InChI=1S/C60H109N11O13/c1-18-21-22-23-24-25-27-38(6)54(81)71-29-26-28-46(71)52(79)65-45(33-36(4)32-44(74)34-43(73)20-3)51(78)62-41(9)49(76)68-60(15,16)57(84)69-59(13,14)56(83)66-47(37(5)19-2)53(80)63-42(10)50(77)67-58(11,12)55(82)64-40(8)48(75)61-39(7)35-70(17)30-31-72/h36-42,44-47,72,74H,18-35H2,1-17H3,(H,61,75)(H,62,78)(H,63,80)(H,64,82)(H,65,79)(H,66,83)(H,67,77)(H,68,76)(H,69,84)/t36-,37+,38-,39+,40+,41+,42+,44+,45+,46-,47+/m1/s1.

What are the key properties of (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide?

(2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide has a molecular weight of 1192.60 g/mol, XLogP of 2.15, 39 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162896443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).