N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C90H119N21O13S29 — CID 161115067

About N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 161115067) has the molecular formula C90H119N21O13S29 and a molecular weight of 2633.02 g/mol. Its IUPAC name is N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 161115067
• Molecular Formula: C90H119N21O13S29
• Molecular Weight: 2633.02 g/mol
• Exact Mass: 2629.12
• IUPAC Name: N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: C.C[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCN=[N+]=[N-].C[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[N-]=[N+]=NCCCCC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-].[N-]=[N+]=NCCCCC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCN=[N+]=[N-]
• InChI: InChI=1S/C28H34N8O4.C26H32N4O3.C22H25NO4.C13H24N8O2.CH4.S15.S14/c29-35-32-17-8-6-14-26(37)25(34-27(38)15-18-33-36-30)13-5-7-16-31-28(39)40-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24;1-19(25(31)15-7-9-17-29-30-27)10-6-8-16-28-26(32)33-18-24-22-13-4-2-11-20(22)21-12-3-5-14-23(21)24;1-15(21(24)25)8-6-7-13-23-22(26)27-14-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;14-8-3-1-5-11(19-13(23)7-10-18-21-16)12(22)6-2-4-9-17-20-15;;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-4,9-12,24-25H,5-8,13-19H2,(H,31,39)(H,34,38);2-5,11-14,19,24H,6-10,15-18H2,1H3,(H,28,32);2-5,9-12,15,20H,6-8,13-14H2,1H3,(H,23,26)(H,24,25);11H,1-10,14H2,(H,19,23);1H4;;/t25-;19-;15-;11-;;;/m0000.../s1
• InChIKey: UKFBKSQWQJKSSE-LRTFYFFJSA-N
• XLogP: 19.64
• TPSA: 531.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 52
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.02
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 161115067) is N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C.C[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCN=[N+]=[N-].C[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[N-]=[N+]=NCCCCC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-].[N-]=[N+]=NCCCCC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCN=[N+]=[N-].

What is the InChIKey of N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is UKFBKSQWQJKSSE-LRTFYFFJSA-N. The full InChI is InChI=1S/C28H34N8O4.C26H32N4O3.C22H25NO4.C13H24N8O2.CH4.S15.S14/c29-35-32-17-8-6-14-26(37)25(34-27(38)15-18-33-36-30)13-5-7-16-31-28(39)40-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24;1-19(25(31)15-7-9-17-29-30-27)10-6-8-16-28-26(32)33-18-24-22-13-4-2-11-20(22)21-12-3-5-14-23(21)24;1-15(21(24)25)8-6-7-13-23-22(26)27-14-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;14-8-3-1-5-11(19-13(23)7-10-18-21-16)12(22)6-2-4-9-17-20-15;;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-4,9-12,24-25H,5-8,13-19H2,(H,31,39)(H,34,38);2-5,11-14,19,24H,6-10,15-18H2,1H3,(H,28,32);2-5,9-12,15,20H,6-8,13-14H2,1H3,(H,23,26)(H,24,25);11H,1-10,14H2,(H,19,23);1H4;;/t25-;19-;15-;11-;;;/m0000.../s1.

What are the key properties of N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 2633.02 g/mol, XLogP of 19.64, 52 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 161115067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).