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bicyclo[6.1.0]non-4-yn-9-ylmethyl N-{2-[2-(2-{[(1S)-1-{[(1S)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethoxy)ethoxy]ethyl}carbamate

bicyclo[6.1.0]non-4-yn-9-ylmethyl N-{2-[2-(2-{[(1S)-1-{[(1S)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethoxy)ethoxy]ethyl}carbamate

CAS: 2348405-84-3

Formula: C33H48N4O8

SMILES: CC(C)[C@H](NC(=O)CCOCCOCCNC(=O)OCC1C2CCC#CCCC12)C(=O)N[C@@H](C)C(=O)NC1=CC=C(CO)C=C1

IUPAC: {bicyclo[6.1.0]non-4-yn-9-yl}methyl N-{2-[2-(2-{[(1S)-1-{[(1S)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethoxy)ethoxy]ethyl}carbamate

InChI: InChI=1S/C33H48N4O8/c1-22(2)30(32(41)35-23(3)31(40)36-25-12-10-24(20-38)11-13-25)37-29(39)14-16-43-18-19-44-17-15-34-33(42)45-21-28-26-8-6-4-5-7-9-27(26)28/h10-13,22-23,26-28,30,38H,6-9,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,40)(H,37,39)/t23-,26?,27?,28?,3

Composition: C (63.04%), H (7.70%), N (8.91%), O (20.36%)

Molar Mass: 628.767

Atom Count: 93

Heavy Atom Count: 45

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 628.347214522
Formal Charge 0
FSP3 0.64
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 5
InChIKey MZPBPBPNGNRMEP-QHPALOADSA-N
Lipinski's Rule of Five
Molar Refractivity 169.54
Topological Polar Surface Area 164.32
Polarizability 65.09
Ring Count 3
Rotatable Bond Count 19

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Purity (%)
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Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2348405-84-3 $737.10-$2,343.60$737.10$1,341.90$2,343.60
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