N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide

C35H57N9O10 — CID 123672291

About N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide

N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide (PubChem CID 123672291) has the molecular formula C35H57N9O10 and a molecular weight of 763.89 g/mol. Its IUPAC name is N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide.

Molecular Properties

• Compound Name: N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide
• PubChem CID: 123672291
• Molecular Formula: C35H57N9O10
• Molecular Weight: 763.89 g/mol
• Exact Mass: 763.42
• IUPAC Name: N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide
• SMILES: CCCCCCc1ccc(C(=O)NC(CO)C(=O)NC(N)C(=O)NCC(=O)N(C)C(C(=O)NC(N)C(=O)NC(CC(C)C)C(=O)NCC=O)C(C)O)cc1
• InChI: InChI=1S/C35H57N9O10/c1-6-7-8-9-10-22-11-13-23(14-12-22)30(49)41-25(19-46)32(51)42-28(36)34(53)39-18-26(48)44(5)27(21(4)47)33(52)43-29(37)35(54)40-24(17-20(2)3)31(50)38-15-16-45/h11-14,16,20-21,24-25,27-29,46-47H,6-10,15,17-19,36-37H2,1-5H3,(H,38,50)(H,39,53)(H,40,54)(H,41,49)(H,42,51)(H,43,52)
• InChIKey: LVKUYVMHZYJDSM-UHFFFAOYSA-N
• XLogP: -3.13
• TPSA: 304.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	763.89
LogP ≤ 5	-3.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide?

The IUPAC name of N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide (CID 123672291) is N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide.

What is the SMILES notation for N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide?

The canonical SMILES for N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide is CCCCCCc1ccc(C(=O)NC(CO)C(=O)NC(N)C(=O)NCC(=O)N(C)C(C(=O)NC(N)C(=O)NC(CC(C)C)C(=O)NCC=O)C(C)O)cc1.

What is the InChIKey of N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide?

The InChIKey is LVKUYVMHZYJDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57N9O10/c1-6-7-8-9-10-22-11-13-23(14-12-22)30(49)41-25(19-46)32(51)42-28(36)34(53)39-18-26(48)44(5)27(21(4)47)33(52)43-29(37)35(54)40-24(17-20(2)3)31(50)38-15-16-45/h11-14,16,20-21,24-25,27-29,46-47H,6-10,15,17-19,36-37H2,1-5H3,(H,38,50)(H,39,53)(H,40,54)(H,41,49)(H,42,51)(H,43,52).

What are the key properties of N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide?

N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide has a molecular weight of 763.89 g/mol, XLogP of -3.13, 24 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-amino-2-[[2-[[1-[[1-amino-2-[[4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-hexylbenzamide is sourced from PubChem (CID 123672291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).