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2,5-dioxopyrrolidin-1-yl 4-[(2-{2-[2-({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}amino)ethoxy]ethoxy}ethyl)carbamoyl]butanoate

2,5-dioxopyrrolidin-1-yl 4-[(2-{2-[2-({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}amino)ethoxy]ethoxy}ethyl)carbamoyl]butanoate

CAS: 1314639-16-1

Formula: C26H37N3O9

SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 4-{[2-(2-{2-[({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)ethyl]carbamoyl}butanoate

InChI: InChI=1S/C26H37N3O9/c30-22(8-5-9-25(33)38-29-23(31)10-11-24(29)32)27-12-14-35-16-17-36-15-13-28-26(34)37-18-21-19-6-3-1-2-4-7-20(19)21/h19-21H,3-18H2,(H,27,30)(H,28,34)/t19-,20+,21-

Composition: C (58.31%), H (6.96%), N (7.85%), O (26.88%)

Molar Mass: 535.594

Atom Count: 75

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 535.252979783
Formal Charge 0
FSP3 0.73
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey HSFACMSIKKWASM-WKCHPHFGSA-N
Lipinski's Rule of Five
Molar Refractivity 133.52
Topological Polar Surface Area 149.57
Polarizability 52.09
Ring Count 3
Rotatable Bond Count 18

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Purity (%)
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Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1314639-16-1 $1,417.50-$2,079.00$1,417.50$2,079.00
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