N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide

C66H76N8O7 — CID 135026326

IUPACN-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)NC)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C66H76N8O7/c1-9-40-68-41-61(76)70(49(3)55-30-18-11-19-31-55)43-63(78)72(51(5)57-34-22-13-23-35-57)45-65(80)74(53(7)59-38-26-15-27-39-59)47-66(81)73(52(6)58-36-24-14-25-37-58)46-64(79)71(50(4)56-32-20-12-21-33-56)44-62(77)69(42-60(75)67-8)48(2)54-28-16-10-17-29-54/h1,10-39,48-53,68H,40-47H2,2-8H3,(H,67,75)/t48-,49-,50-,51-,52-,53-/m0/s1
InChIKeyIRTZVFUJRQTQLS-PEEMADJISA-N
MW1093.38 g/mol
LogP8.49
Rot. Bonds27

About N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide

N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 135026326) has the molecular formula C66H76N8O7 and a molecular weight of 1093.38 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID135026326
Molecular FormulaC66H76N8O7
Molecular Weight1093.38 g/mol
Exact Mass1092.58
IUPAC NameN-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)NC)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C66H76N8O7/c1-9-40-68-41-61(76)70(49(3)55-30-18-11-19-31-55)43-63(78)72(51(5)57-34-22-13-23-35-57)45-65(80)74(53(7)59-38-26-15-27-39-59)47-66(81)73(52(6)58-36-24-14-25-37-58)46-64(79)71(50(4)56-32-20-12-21-33-56)44-62(77)69(42-60(75)67-8)48(2)54-28-16-10-17-29-54/h1,10-39,48-53,68H,40-47H2,2-8H3,(H,67,75)/t48-,49-,50-,51-,52-,53-/m0/s1
InChIKeyIRTZVFUJRQTQLS-PEEMADJISA-N
XLogP8.49
TPSA162.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.38
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-[[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8772476
N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722717
2-[(2-bromoacetyl)-[(1R)-1-phenylethyl]amino]acetic acid
CID 146503084
N-methyl-4,4-diphenylbutanamide
CID 125470248
(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide
CID 10474463
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]acetamide
CID 139506129
tert-butyl 3-[[(1S)-1-phenylethyl]-[2-[[(1S)-1-phenylethyl]-[3-[[(1S)-1-phenylethyl]-[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]propanoate
CID 56955505
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 101427107

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide (CID 135026326) is N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)NC)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is IRTZVFUJRQTQLS-PEEMADJISA-N. The full InChI is InChI=1S/C66H76N8O7/c1-9-40-68-41-61(76)70(49(3)55-30-18-11-19-31-55)43-63(78)72(51(5)57-34-22-13-23-35-57)45-65(80)74(53(7)59-38-26-15-27-39-59)47-66(81)73(52(6)58-36-24-14-25-37-58)46-64(79)71(50(4)56-32-20-12-21-33-56)44-62(77)69(42-60(75)67-8)48(2)54-28-16-10-17-29-54/h1,10-39,48-53,68H,40-47H2,2-8H3,(H,67,75)/t48-,49-,50-,51-,52-,53-/m0/s1.
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 1093.38 g/mol, XLogP of 8.49, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 135026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).