9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate

C35H43N3O7 — CID 6608943

IUPAC9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate
SMILESC[C@@H](CO)NC(=O)C[C@H]1CC=CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC2(CCCC2)NC1=O
InChIInChI=1S/C35H43N3O7/c1-23(20-39)36-31(40)19-24-11-3-2-4-16-30(33(42)45-22-35(38-32(24)41)17-9-10-18-35)37-34(43)44-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-3,5-8,12-15,23-24,29-30,39H,4,9-11,16-22H2,1H3,(H,36,40)(H,37,43)(H,38,41)/t23-,24+,30-/m0/s1
InChIKeyPSCAPTJIASIESB-BBANNHEPSA-N
MW617.74 g/mol
LogP4.11
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate

9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate (PubChem CID 6608943) has the molecular formula C35H43N3O7 and a molecular weight of 617.74 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate
PubChem CID6608943
Molecular FormulaC35H43N3O7
Molecular Weight617.74 g/mol
Exact Mass617.31
IUPAC Name9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate
SMILESC[C@@H](CO)NC(=O)C[C@H]1CC=CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC2(CCCC2)NC1=O
InChIInChI=1S/C35H43N3O7/c1-23(20-39)36-31(40)19-24-11-3-2-4-16-30(33(42)45-22-35(38-32(24)41)17-9-10-18-35)37-34(43)44-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-3,5-8,12-15,23-24,29-30,39H,4,9-11,16-22H2,1H3,(H,36,40)(H,37,43)(H,38,41)/t23-,24+,30-/m0/s1
InChIKeyPSCAPTJIASIESB-BBANNHEPSA-N
XLogP4.11
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.74
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate
CID 6608964
9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate
CID 23307483
benzyl N-[4-[12-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl]carbamate
CID 3539751
9H-fluoren-9-ylmethyl N-[(6R,12S)-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,3-dimethyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 6608987
2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 6609473
9H-fluoren-9-ylmethyl N-[(3R,6R,12S)-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,13-dioxo-3-phenyl-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 6609156
9H-fluoren-9-ylmethyl N-[(2S,6R,12S)-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 6608920
9H-fluoren-9-ylmethyl N-[(3S,6R,12S)-3-(cyclohexylmethyl)-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 6608612
benzyl N-[(6R,11R)-6-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-3,3-dimethyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
CID 6608228
benzyl N-[6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-3,3-dimethyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
CID 4589359
9H-fluoren-9-ylmethyl N-[(3S,6R,12S)-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,13-dioxo-3-(phenylmethoxymethyl)-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 6608626
9H-fluoren-9-ylmethyl N-[6-[2-[[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]-3-methyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
CID 4129325

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate (CID 6608943) is 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate is C[C@@H](CO)NC(=O)C[C@H]1CC=CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC2(CCCC2)NC1=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate?
The InChIKey is PSCAPTJIASIESB-BBANNHEPSA-N. The full InChI is InChI=1S/C35H43N3O7/c1-23(20-39)36-31(40)19-24-11-3-2-4-16-30(33(42)45-22-35(38-32(24)41)17-9-10-18-35)37-34(43)44-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-3,5-8,12-15,23-24,29-30,39H,4,9-11,16-22H2,1H3,(H,36,40)(H,37,43)(H,38,41)/t23-,24+,30-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate has a molecular weight of 617.74 g/mol, XLogP of 4.11, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(8R,14S)-8-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-7,15-dioxo-16-oxa-6-azaspiro[4.12]heptadec-10-en-14-yl]carbamate is sourced from PubChem (CID 6608943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).