CID 140637910

C71H88N9O8 — CID 140637910

IUPAC—
SMILESC[C@H](c1ccccc1)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)C(=O)CNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C71H88N9O8/c1-50(56-29-17-11-18-30-56)74(44-63(72)81)65(83)46-76(52(3)58-33-21-13-22-34-58)67(85)48-78(54(5)60-37-25-15-26-38-60)69(87)49-79(55(6)61-39-27-16-28-40-61)68(86)47-77(53(4)59-35-23-14-24-36-59)66(84)45-75(51(2)57-31-19-12-20-32-57)64(82)43-73-62-41-70(7,8)80(88)71(9,10)42-62/h11-40,50-55,62,73H,41-49H2,1-10H3,(H2,72,81)/t50-,51+,52-,53+,54-,55+/m0/s1
InChIKeyNMJSIKLIDGSOOX-WLSZEVRESA-N
MW1195.54 g/mol
LogP9.97
Rot. Bonds27

About CID 140637910

CID 140637910 (PubChem CID 140637910) has the molecular formula C71H88N9O8 and a molecular weight of 1195.54 g/mol.

Molecular Properties

Compound NameCID 140637910
PubChem CID140637910
Molecular FormulaC71H88N9O8
Molecular Weight1195.54 g/mol
Exact Mass1194.68
IUPAC Name—
SMILESC[C@H](c1ccccc1)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)C(=O)CNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C71H88N9O8/c1-50(56-29-17-11-18-30-56)74(44-63(72)81)65(83)46-76(52(3)58-33-21-13-22-34-58)67(85)48-78(54(5)60-37-25-15-26-38-60)69(87)49-79(55(6)61-39-27-16-28-40-61)68(86)47-77(53(4)59-35-23-14-24-36-59)66(84)45-75(51(2)57-31-19-12-20-32-57)64(82)43-73-62-41-70(7,8)80(88)71(9,10)42-62/h11-40,50-55,62,73H,41-49H2,1-10H3,(H2,72,81)/t50-,51+,52-,53+,54-,55+/m0/s1
InChIKeyNMJSIKLIDGSOOX-WLSZEVRESA-N
XLogP9.97
TPSA200.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.54
LogP ≤ 59.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
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
N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 58018123
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
2-(2-aminoethylamino)-N-[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(2-sulfanylethyl)acetamide
CID 130252041
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
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
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
(2S)-2-[[2-[[2-[5-[[[2-[[2-(2-aminoethylamino)acetyl]-[(1S)-1-phenylethyl]amino]acetyl]amino]methyl]triazol-1-yl]acetyl]-[(1S)-1-phenylethyl]amino]acetyl]-(2-amino-2-oxoethyl)amino]propanoic acid
CID 102085103
N-(2-amino-2-oxoethyl)-2-anilino-N-propan-2-ylacetamide;hydrochloride
CID 119684334
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
CID 144888104

Frequently Asked Questions

What is the IUPAC name of CID 140637910?
The IUPAC name of CID 140637910 (CID 140637910) is not available.
What is the SMILES notation for CID 140637910?
The canonical SMILES for CID 140637910 is C[C@H](c1ccccc1)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)C(=O)CNC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140637910?
The InChIKey is NMJSIKLIDGSOOX-WLSZEVRESA-N. The full InChI is InChI=1S/C71H88N9O8/c1-50(56-29-17-11-18-30-56)74(44-63(72)81)65(83)46-76(52(3)58-33-21-13-22-34-58)67(85)48-78(54(5)60-37-25-15-26-38-60)69(87)49-79(55(6)61-39-27-16-28-40-61)68(86)47-77(53(4)59-35-23-14-24-36-59)66(84)45-75(51(2)57-31-19-12-20-32-57)64(82)43-73-62-41-70(7,8)80(88)71(9,10)42-62/h11-40,50-55,62,73H,41-49H2,1-10H3,(H2,72,81)/t50-,51+,52-,53+,54-,55+/m0/s1.
What are the key properties of CID 140637910?
CID 140637910 has a molecular weight of 1195.54 g/mol, XLogP of 9.97, 27 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140637910 is sourced from PubChem (CID 140637910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).