(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol

C32H38N4O — CID 155488567

IUPAC(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol
SMILESC=Cc1c2[nH]c(c1C)/C=C1\NC(C3=c4[nH]c(c(C)c4=C(O)C3)/C=c3\[nH]/c(c(C)c3CC)=C\2)[C@@H](CC)[C@@H]1C
InChIInChI=1S/C32H38N4O/c1-8-19-15(4)23-12-25-17(6)21(10-3)31(35-25)22-11-29(37)30-18(7)26(36-32(22)30)14-28-20(9-2)16(5)24(34-28)13-27(19)33-23/h8,12-14,17,21,31,33-37H,1,9-11H2,2-7H3/b24-13-,25-12-,28-14-/t17-,21-,31?/m0/s1
InChIKeyLYVZTJWNOGJXFA-GBGWEKPZSA-N
MW494.68 g/mol
LogP3.67
Rot. Bonds3

About (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol

(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol (PubChem CID 155488567) has the molecular formula C32H38N4O and a molecular weight of 494.68 g/mol. Its IUPAC name is (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol.

Molecular Properties

Compound Name(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol
PubChem CID155488567
Molecular FormulaC32H38N4O
Molecular Weight494.68 g/mol
Exact Mass494.30
IUPAC Name(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol
SMILESC=Cc1c2[nH]c(c1C)/C=C1\NC(C3=c4[nH]c(c(C)c4=C(O)C3)/C=c3\[nH]/c(c(C)c3CC)=C\2)[C@@H](CC)[C@@H]1C
InChIInChI=1S/C32H38N4O/c1-8-19-15(4)23-12-25-17(6)21(10-3)31(35-25)22-11-29(37)30-18(7)26(36-32(22)30)14-28-20(9-2)16(5)24(34-28)13-27(19)33-23/h8,12-14,17,21,31,33-37H,1,9-11H2,2-7H3/b24-13-,25-12-,28-14-/t17-,21-,31?/m0/s1
InChIKeyLYVZTJWNOGJXFA-GBGWEKPZSA-N
XLogP3.67
TPSA79.63 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 53.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Analyze (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol with MolForge

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Related Compounds

3-[(3R,9Z,13Z,19Z,21S,22S)-3-(aminomethoxycarbonyl)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-22-yl]propanoic acid
CID 138403206
methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-22-[3-[(3E)-3-(hydroxymethylidene)hexoxy]-3-oxopropyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
CID 162639767
methyl (2R,3R,9Z,13Z,19Z,21S,22S)-2-amino-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-5,8(26),9,11,13,15,17,19-octaene-3-carboxylate
CID 166593787
methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7S)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
CID 154702585
methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-7,11,15-trimethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
CID 172994672
methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(Z,7R,11R)-7,11,15-trimethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaene-3-carboxylate
CID 72716011
methyl (3R,8Z,12Z,13Z,19E,21S,22S)-16-ethenyl-22-ethyl-12-(hydroxymethylidene)-11,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),5(26),8,10,13,15,17,19-octaene-3-carboxylate
CID 169409251
(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,21,22,23,24-hexahydroporphyrin-2,20-dicarboxylic acid
CID 91452767
methyl (3R,9Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-12,17,21,22,26-pentamethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),5(26),9,11,13,15,17,19-octaene-3-carboxylate
CID 166593825
3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-12,13,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid
CID 6914019
(9Z,15Z)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,21,22,23,24-hexahydroporphyrin-2-carboxylic acid
CID 137332371
(3R,21S,22S)-16-ethenyl-11-ethyl-3,12,17,21,26-pentamethyl-22-(3-oxobutyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-4-one
CID 90716678

Frequently Asked Questions

What is the IUPAC name of (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol?
The IUPAC name of (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol (CID 155488567) is (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol.
What is the SMILES notation for (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol?
The canonical SMILES for (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol is C=Cc1c2[nH]c(c1C)/C=C1\NC(C3=c4[nH]c(c(C)c4=C(O)C3)/C=c3\[nH]/c(c(C)c3CC)=C\2)[C@@H](CC)[C@@H]1C.
What is the InChIKey of (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol?
The InChIKey is LYVZTJWNOGJXFA-GBGWEKPZSA-N. The full InChI is InChI=1S/C32H38N4O/c1-8-19-15(4)23-12-25-17(6)21(10-3)31(35-25)22-11-29(37)30-18(7)26(36-32(22)30)14-28-20(9-2)16(5)24(34-28)13-27(19)33-23/h8,12-14,17,21,31,33-37H,1,9-11H2,2-7H3/b24-13-,25-12-,28-14-/t17-,21-,31?/m0/s1.
What are the key properties of (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol?
(9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol has a molecular weight of 494.68 g/mol, XLogP of 3.67, 3 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,13Z,19Z,21S,22S)-16-ethenyl-11,22-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,11,13,15,17,19-nonaen-4-ol is sourced from PubChem (CID 155488567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).