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(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid

CAS: 65365-16-4

Formula: C21H19NO4

SMILES: OC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)OCC1=CC=CC=C1

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

InChI: InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m0/s1

Composition: C (72.19%), H (5.48%), N (4.01%), O (18.32%)

Molar Mass: 349.386

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 349.131408096
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XBRPIBMAJOTVHG-IBGZPJMESA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.25
Topological Polar Surface Area 75.63
Polarizability 39.04
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 65365-16-4 $18.92-$247.16$18.92$63.05$247.16
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