(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide

C97H123N27O18 — CID 158404738

IUPAC(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide
SMILESCC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O.C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C49H63N15O9.C48H60N12O9/c1-27-43(68)59-39(21-28-11-15-32(65)16-12-28)46(71)57-37(42(51)67)9-4-5-20-64-26-31(62-63-64)24-35(50)44(69)60-41(23-30-25-55-36-8-3-2-7-34(30)36)48(73)61-40(22-29-13-17-33(66)18-14-29)47(72)58-38(45(70)56-27)10-6-19-54-49(52)53;1-26(2)41-48(69)52-27(3)43(64)54-38(20-28-11-15-32(61)16-12-28)45(66)53-37(42(50)63)10-6-7-19-60-25-31(58-59-60)23-35(49)44(65)55-40(22-30-24-51-36-9-5-4-8-34(30)36)46(67)56-39(47(68)57-41)21-29-13-17-33(62)18-14-29/h2-3,7-8,11-18,25-27,35,37-41,55,65-66H,4-6,9-10,19-24,50H2,1H3,(H2,51,67)(H,56,70)(H,57,71)(H,58,72)(H,59,68)(H,60,69)(H,61,73)(H4,52,53,54);4-5,8-9,11-18,24-27,35,37-41,51,61-62H,6-7,10,19-23,49H2,1-3H3,(H2,50,63)(H,52,69)(H,53,66)(H,54,64)(H,55,65)(H,56,67)(H,57,68)/t2*27-,35+,37+,38-,39-,40-,41-/m11/s1
InChIKeyGYNPZMQASQONFJ-DYCHINNNSA-N
MW1955.22 g/mol
LogP-1.56
Rot. Bonds19

About (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide

(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide (PubChem CID 158404738) has the molecular formula C97H123N27O18 and a molecular weight of 1955.22 g/mol. Its IUPAC name is (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide.

Molecular Properties

Compound Name(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide
PubChem CID158404738
Molecular FormulaC97H123N27O18
Molecular Weight1955.22 g/mol
Exact Mass1953.95
IUPAC Name(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide
SMILESCC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O.C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C49H63N15O9.C48H60N12O9/c1-27-43(68)59-39(21-28-11-15-32(65)16-12-28)46(71)57-37(42(51)67)9-4-5-20-64-26-31(62-63-64)24-35(50)44(69)60-41(23-30-25-55-36-8-3-2-7-34(30)36)48(73)61-40(22-29-13-17-33(66)18-14-29)47(72)58-38(45(70)56-27)10-6-19-54-49(52)53;1-26(2)41-48(69)52-27(3)43(64)54-38(20-28-11-15-32(61)16-12-28)45(66)53-37(42(50)63)10-6-7-19-60-25-31(58-59-60)23-35(49)44(65)55-40(22-30-24-51-36-9-5-4-8-34(30)36)46(67)56-39(47(68)57-41)21-29-13-17-33(62)18-14-29/h2-3,7-8,11-18,25-27,35,37-41,55,65-66H,4-6,9-10,19-24,50H2,1H3,(H2,51,67)(H,56,70)(H,57,71)(H,58,72)(H,59,68)(H,60,69)(H,61,73)(H4,52,53,54);4-5,8-9,11-18,24-27,35,37-41,51,61-62H,6-7,10,19-23,49H2,1-3H3,(H2,50,63)(H,52,69)(H,53,66)(H,54,64)(H,55,65)(H,56,67)(H,57,68)/t2*27-,35+,37+,38-,39-,40-,41-/m11/s1
InChIKeyGYNPZMQASQONFJ-DYCHINNNSA-N
XLogP-1.56
TPSA725.74 Ų
H-Bond Donors24
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.22
LogP ≤ 5-1.56
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide with MolForge

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Related Compounds

(6R,9S,18S,21S)-21-amino-9-[[4-(diaminomethylideneamino)phenyl]methyl]-15-[3-(diaminomethylideneamino)propyl]-18-(2-methylpropyl)-8,11,14,17,20-pentaoxo-1,7,10,13,16,19,24,25-octazabicyclo[21.2.1]hexacosa-23(26),24-diene-6-carboxamide
CID 167246424
(6S,9R,12S,18S,21R,24R)-24-[3-[2-[2-[8-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-oxopropyl]-18-[3-(diaminomethylideneamino)propyl]-12-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-8,11,14,17,20,23-hexaoxo-1,7,10,16,22,27,28-heptazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;ethane
CID 159886509
2-[(2S,5S,8S,11S,14S,17S)-17-benzyl-11-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-methyl-3,6,9,12,15,18-hexaoxo-5-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
CID 66553332
2-[3-[(2S,5S,8S,11S,14R,17S)-11-[(4-hydroxyphenyl)methyl]-5,8,14-tris(1H-indol-3-ylmethyl)-7-methyl-17-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]guanidine
CID 131715106
(2S,5S,8R,11S,14S,17S)-8-benzyl-2-butyl-5,11-bis[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 11542484
(6R,9R,12S,15S,18S,21R)-21-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-15-(4-aminobutyl)-9-[(4-chlorophenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-18-(1H-indol-3-ylmethyl)-8,11,14,17,20-pentaoxo-1,7,13,16,19,24,25-heptazabicyclo[21.2.1]hexacosa-23(26),24-diene-6-carboxamide
CID 167639875
2-[(3S,6S,9S,12S,15S,18S,21S,24S)-9-(4-aminobutyl)-15-benzyl-21-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-6-methyl-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]acetic acid
CID 10102519
2-[3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S)-11-(4-aminobutyl)-8-[(2S)-butan-2-yl]-17,20-bis[3-(diaminomethylideneamino)propyl]-5,14,23-tris(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27-nonaoxo-26-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazacycloheptacos-2-yl]propyl]guanidine
CID 25086982
2-[3-[(2S,5S,8S,11R,14S,17S)-5-benzyl-8,11-bis[3-(diaminomethylideneamino)propyl]-14,17-bis(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]guanidine
CID 11400426
(11S,14S,17R,20S,23R)-20-benzyl-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 46877881
2-[(2R,5S,8R,11S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
CID 10556386
(3R,6S,9R,12R,15R,18S,24S,27S,30S)-21,24,27-tris(3-aminopropyl)-6-benzyl-30-[(1R)-1-hydroxyethyl]-18-(1H-indol-3-ylmethyl)-15-methyl-3,9,12-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25-nonazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone
CID 167653943

Frequently Asked Questions

What is the IUPAC name of (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide?
The IUPAC name of (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide (CID 158404738) is (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide.
What is the SMILES notation for (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide?
The canonical SMILES for (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide is CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O.C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O.
What is the InChIKey of (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide?
The InChIKey is GYNPZMQASQONFJ-DYCHINNNSA-N. The full InChI is InChI=1S/C49H63N15O9.C48H60N12O9/c1-27-43(68)59-39(21-28-11-15-32(65)16-12-28)46(71)57-37(42(51)67)9-4-5-20-64-26-31(62-63-64)24-35(50)44(69)60-41(23-30-25-55-36-8-3-2-7-34(30)36)48(73)61-40(22-29-13-17-33(66)18-14-29)47(72)58-38(45(70)56-27)10-6-19-54-49(52)53;1-26(2)41-48(69)52-27(3)43(64)54-38(20-28-11-15-32(61)16-12-28)45(66)53-37(42(50)63)10-6-7-19-60-25-31(58-59-60)23-35(49)44(65)55-40(22-30-24-51-36-9-5-4-8-34(30)36)46(67)56-39(47(68)57-41)21-29-13-17-33(62)18-14-29/h2-3,7-8,11-18,25-27,35,37-41,55,65-66H,4-6,9-10,19-24,50H2,1H3,(H2,51,67)(H,56,70)(H,57,71)(H,58,72)(H,59,68)(H,60,69)(H,61,73)(H4,52,53,54);4-5,8-9,11-18,24-27,35,37-41,51,61-62H,6-7,10,19-23,49H2,1-3H3,(H2,50,63)(H,52,69)(H,53,66)(H,54,64)(H,55,65)(H,56,67)(H,57,68)/t2*27-,35+,37+,38-,39-,40-,41-/m11/s1.
What are the key properties of (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide?
(6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide has a molecular weight of 1955.22 g/mol, XLogP of -1.56, 19 rotatable bonds, 24 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R,12R,15R,18R,21R,24S)-24-amino-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-15-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide;(6S,9R,12R,15R,18R,21R,24S)-24-amino-15-[3-(diaminomethylideneamino)propyl]-9,18-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-12-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide is sourced from PubChem (CID 158404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).