9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate

C70H94N10O12 — CID 24879136

IUPAC9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate
SMILESCC(C)C[C@H]1C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N1C
InChIInChI=1S/C70H94N10O12/c1-41(2)31-57-63(83)71-35-55(73-69(89)91-39-53-49-27-19-15-23-45(49)46-24-16-20-28-50(46)53)65(85)79(13)60(34-44(7)8)68(88)76(10)38-62(82)78(12)58(32-42(3)4)64(84)72-36-56(66(86)80(14)59(33-43(5)6)67(87)75(9)37-61(81)77(57)11)74-70(90)92-40-54-51-29-21-17-25-47(51)48-26-18-22-30-52(48)54/h15-30,41-44,53-60H,31-40H2,1-14H3,(H,71,83)(H,72,84)(H,73,89)(H,74,90)/t55-,56-,57-,58-,59-,60-/m0/s1
InChIKeyHCQQZDHISGOHOR-KBFOMVIASA-N
MW1267.58 g/mol
LogP6.46
Rot. Bonds14

About 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate (PubChem CID 24879136) has the molecular formula C70H94N10O12 and a molecular weight of 1267.58 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate
PubChem CID24879136
Molecular FormulaC70H94N10O12
Molecular Weight1267.58 g/mol
Exact Mass1266.71
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate
SMILESCC(C)C[C@H]1C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N1C
InChIInChI=1S/C70H94N10O12/c1-41(2)31-57-63(83)71-35-55(73-69(89)91-39-53-49-27-19-15-23-45(49)46-24-16-20-28-50(46)53)65(85)79(13)60(34-44(7)8)68(88)76(10)38-62(82)78(12)58(32-42(3)4)64(84)72-36-56(66(86)80(14)59(33-43(5)6)67(87)75(9)37-61(81)77(57)11)74-70(90)92-40-54-51-29-21-17-25-47(51)48-26-18-22-30-52(48)54/h15-30,41-44,53-60H,31-40H2,1-14H3,(H,71,83)(H,72,84)(H,73,89)(H,74,90)/t55-,56-,57-,58-,59-,60-/m0/s1
InChIKeyHCQQZDHISGOHOR-KBFOMVIASA-N
XLogP6.46
TPSA256.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.58
LogP ≤ 56.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate with MolForge

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Related Compounds

(2S)-2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
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9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 70953072
prop-2-enyl N-[(3S,7S,11S)-7-azido-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6,10,14-tetraoxo-1,5,9,13-tetrazacyclohexadec-3-yl]carbamate
CID 11614446
benzyl 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5-dioxopyrrolidin-1-yl]acetate
CID 132532259
9H-fluoren-9-ylmethyl N-[(3R)-2,5-dioxooxolan-3-yl]carbamate
CID 102482315
9H-fluoren-9-ylmethyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 122234210
methyl (11R)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-6,10-dioxo-1,2-dithia-5,9-diazacyclododecane-4-carboxylate
CID 177407514
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
methyl (3S,6S,9R,9aS)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-9-methoxy-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylate
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9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate (CID 24879136) is 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate is CC(C)C[C@H]1C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N1C.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate?
The InChIKey is HCQQZDHISGOHOR-KBFOMVIASA-N. The full InChI is InChI=1S/C70H94N10O12/c1-41(2)31-57-63(83)71-35-55(73-69(89)91-39-53-49-27-19-15-23-45(49)46-24-16-20-28-50(46)53)65(85)79(13)60(34-44(7)8)68(88)76(10)38-62(82)78(12)58(32-42(3)4)64(84)72-36-56(66(86)80(14)59(33-43(5)6)67(87)75(9)37-61(81)77(57)11)74-70(90)92-40-54-51-29-21-17-25-47(51)48-26-18-22-30-52(48)54/h15-30,41-44,53-60H,31-40H2,1-14H3,(H,71,83)(H,72,84)(H,73,89)(H,74,90)/t55-,56-,57-,58-,59-,60-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate has a molecular weight of 1267.58 g/mol, XLogP of 6.46, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S,8S,12S,15S,21S,25S)-25-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4,7,14,17,20-hexamethyl-2,8,15,21-tetrakis(2-methylpropyl)-3,6,9,13,16,19,22,26-octaoxo-1,4,7,10,14,17,20,23-octazacyclohexacos-12-yl]carbamate is sourced from PubChem (CID 24879136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).