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methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethoxy)ethoxy]phenyl}propanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethoxy)ethoxy]phenyl}propanoate

Formula: C34H40N2O8

SMILES: COC(=O)[C@H](CC1=CC=C(OCCOCCNC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]ethoxy}phenyl)propanoate

InChI: InChI=1S/C34H40N2O8/c1-34(2,3)44-33(39)36-30(31(37)40-4)21-23-13-15-24(16-14-23)42-20-19-41-18-17-35-32(38)43-22-29-27-11-7-5-9-25(27)26-10-6-8-12-28(26)29/h5-16,29-30H,17-22H2,1-4H3,(H,35,38)(H,36,39)/t30-/m0/s1

Composition: C (67.53%), H (6.67%), N (4.63%), O (21.17%)

Molar Mass: 604.7

Atom Count: 84

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 604.278466256
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VGYMRLOEJVDXNY-PMERELPUSA-N
Lipinski's Rule of Five
Molar Refractivity 164.29
Topological Polar Surface Area 121.42
Polarizability 65.53
Ring Count 4
Rotatable Bond Count 17

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C34H40N2O8 $425.25-$1,587.60$425.25$850.50$1,587.60
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