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(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[3-(methoxycarbonyl)phenyl]propanoic acid

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[3-(methoxycarbonyl)phenyl]propanoic acid

CAS: 2350774-27-3

Formula: C19H19NO6

SMILES: COC(=O)C1=CC=CC(C[C@H](NC(=O)OCC2=CC=CC=C2)C(O)=O)=C1

IUPAC: (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[3-(methoxycarbonyl)phenyl]propanoic acid

InChI: InChI=1S/C19H19NO6/c1-25-18(23)15-9-5-8-14(10-15)11-16(17(21)22)20-19(24)26-12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,20,24)(H,21,22)/t16-/m0/s1

Composition: C (63.86%), H (5.36%), N (3.92%), O (26.86%)

Molar Mass: 357.362

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 357.121237336
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DZVJKNBTXSSVKI-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.82
Topological Polar Surface Area 101.93
Polarizability 36.01
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2350774-27-3 $11,362.00-$3,312.00$2,162.00$3,312.00$11,362.00
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