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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(7-methoxy-1H-indol-3-yl)propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(7-methoxy-1H-indol-3-yl)propanoic acid

CAS: 2416720-26-6

Formula: C27H24N2O5

SMILES: COC1=C2NC=C(C[C@H](NC(=O)OCC3C4=CC=CC=C4C4=CC=CC=C34)C(O)=O)C2=CC=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(7-methoxy-1H-indol-3-yl)propanoic acid

InChI: InChI=1S/C27H24N2O5/c1-33-24-12-6-11-17-16(14-28-25(17)24)13-23(26(30)31)29-27(32)34-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22/h2-12,14,22-23,28H,13,15H2,1H3,(H,29,32)(H,30,31)/t23-/m0/s1

Composition: C (71.04%), H (5.30%), N (6.14%), O (17.52%)

Molar Mass: 456.498

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 456.168521881
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey TUSMUXWBZDSCAF-QHCPKHFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.75
Topological Polar Surface Area 100.65
Polarizability 51.33
Ring Count 5
Rotatable Bond Count 8

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2416720-26-6 $190.08-$568.32$190.08$379.20$568.32
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