N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide

C40H74N10O11 — CID 130468809

About N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide

N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide (PubChem CID 130468809) has the molecular formula C40H74N10O11 and a molecular weight of 871.09 g/mol. Its IUPAC name is N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide
• PubChem CID: 130468809
• Molecular Formula: C40H74N10O11
• Molecular Weight: 871.09 g/mol
• Exact Mass: 870.55
• IUPAC Name: N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CCO)C(=O)N[C@H](N)C(=O)NCC(=O)N(C)[C@H](C(=O)N[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)C(=O)NC)C(C)O
• InChI: InChI=1S/C40H74N10O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(53)46-27(20-21-51)35(56)48-33(41)39(60)44-23-30(54)50(7)31(26(5)52)37(58)49-34(42)40(61)47-28(22-24(2)3)36(57)45-25(4)32(55)38(59)43-6/h24-28,31,33-34,51-52H,8-23,41-42H2,1-7H3,(H,43,59)(H,44,60)(H,45,57)(H,46,53)(H,47,61)(H,48,56)(H,49,58)/t25?,26?,27-,28+,31+,33+,34-/m1/s1
• InChIKey: GWWONODGLITWIA-HPKSFNMMSA-N
• XLogP: -1.97
• TPSA: 333.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.09
LogP ≤ 5	-1.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide?

The IUPAC name of N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide (CID 130468809) is N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide.

What is the SMILES notation for N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide?

The canonical SMILES for N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@H](CCO)C(=O)N[C@H](N)C(=O)NCC(=O)N(C)[C@H](C(=O)N[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)C(=O)NC)C(C)O.

What is the InChIKey of N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide?

The InChIKey is GWWONODGLITWIA-HPKSFNMMSA-N. The full InChI is InChI=1S/C40H74N10O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(53)46-27(20-21-51)35(56)48-33(41)39(60)44-23-30(54)50(7)31(26(5)52)37(58)49-34(42)40(61)47-28(22-24(2)3)36(57)45-25(4)32(55)38(59)43-6/h24-28,31,33-34,51-52H,8-23,41-42H2,1-7H3,(H,43,59)(H,44,60)(H,45,57)(H,46,53)(H,47,61)(H,48,56)(H,49,58)/t25?,26?,27-,28+,31+,33+,34-/m1/s1.

What are the key properties of N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide?

N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide has a molecular weight of 871.09 g/mol, XLogP of -1.97, 32 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(2S)-1-[[(1R)-1-amino-2-[[(2S)-4-methyl-1-[[4-(methylamino)-3,4-dioxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]tetradecanamide is sourced from PubChem (CID 130468809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).